Geometry & MOs

Info

ID:	393825
PubChem CID:	135021793
Reduced:	OC10H18 (2)
Stoich.:	AB10C18 (2)
Weight, g/mol:	412.318875
ΔH_f, kcal/mol:	-138.35
Dipole, Da:	0.71
IP(EA), eV:	-9.49(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6S,9R,13R,17R,19S)-14,15-dihydroxy-6,13,19-trimethyl-9-propyl-8,20-dioxabicyclo[15.2.1]icosan-7-one

Drug info:

PubChemData

Smile

CCC[C@H](C)C(=O)O[C@H](CCC)CC(=C)C[C@@H](C)/C=C/CC

DOS

IR

Vibrations