Geometry & MOs

Info

ID:

16962

PubChem CID:

481112

Reduced:

O10C43H80 (1)

Stoich.:

A10B43C80 (1)

Weight, g/mol:

756.575149

ΔHf, kcal/mol:

-570.78

Dipole, Da:

5.74

IP(EA), eV:

 -9.25(0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] octadec-9-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCCC=CCCCCCCCC

DOS

IR

Vibrations