Geometry & MOs

Info

ID:	45186
PubChem CID:	10508896
Reduced:	NPF2O7C38H46 (1)
Stoich.:	ABC2D7E38F46 (1)
Weight, g/mol:	706.42334
ΔH_f, kcal/mol:	-338.98
Dipole, Da:	2.58
IP(EA), eV:	-9.04(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,5R,6R)-2-(3-butyl-2-methylideneheptoxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

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

CCOP(=O)(C([C@H]([C@H]([C@@H]([C@H](COCC1=CC=CC=C1)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)NCC4=CC=CC=C4)(F)F)OCC

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

CCOP(=O)(C([C@H]([C@H]([C@@H]([C@H](COCC1=CC=CC=C1)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)NCC4=CC=CC=C4)(F)F)OCC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):