Geometry & MOs

Info

ID:	393159
PubChem CID:	135019601
Reduced:	SO6C35H36 (1)
Stoich.:	AB6C35D36 (1)
Weight, g/mol:	938.424127
ΔH_f, kcal/mol:	-153.81
Dipole, Da:	2.89
IP(EA), eV:	-8.37(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,5R)-2-[(2S,5R)-2-methoxy-4,5-bis(phenylmethoxy)-6-(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

CC(=O)OC1[C@H](OC([C@H](C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4)SC5=CC=CC=C5

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

CC(=O)OC1[C@H](OC([C@H](C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4)SC5=CC=CC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):