Geometry & MOs

Info

ID:	230508
PubChem CID:	87571151
Reduced:	PSO4C9H17 (1)
Stoich.:	ABC4D9E17 (1)
Weight, g/mol:	1126.877585
ΔH_f, kcal/mol:	-153.38
Dipole, Da:	0.7
IP(EA), eV:	-8.84(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4S,5R,6R)-2-[(2S)-2,3-bis[(3S,7S,11R)-3,7,11,15-tetramethylhexadecoxy]propoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

C=CCP(CC=C)CC=C.OS(=O)(=O)O

DOS

IR

Vibrations