Geometry & MOs

Info

ID:	397969
PubChem CID:	135031190
Reduced:	O13H54C55 (1)
Stoich.:	A13B54C55 (1)
Weight, g/mol:	938.424127
ΔH_f, kcal/mol:	-389.36
Dipole, Da:	4.26
IP(EA), eV:	-9.25(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-2-[(3S,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H]1C(C([C@H](C(O1)O[C@@H]2C(O[C@@H](C(C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC)COCC5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H]1C(C([C@H](C(O1)O[C@@H]2C(O[C@@H](C(C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC)COCC5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):