Geometry & MOs

Info

ID:	393900
PubChem CID:	135021927
Reduced:	OC3H4 (6)
Stoich.:	AB3C4 (6)
Weight, g/mol:	830.575543
ΔH_f, kcal/mol:	-226.6
Dipole, Da:	0.44
IP(EA), eV:	-9.23(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6R)-3,4,5-trihydroxy-6-[(2R,5S)-3,4,5-trihydroxy-6-(13-methyltetradecanoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl (Z)-octadec-8-enoate

Drug info:

PubChemData

Smile

CC1(O[C@H]2CC[C@H]3C(=CCCC(=C3C(=O)OC)C(=O)OC)[C@H]2O1)C

DOS

IR

Vibrations