Geometry & MOs

Info

ID:	26234
PubChem CID:	641528
Reduced:	OC2H4 (2)
Stoich.:	AB2C4 (2)
Weight, g/mol:	514.365825
ΔH_f, kcal/mol:	-92.11
Dipole, Da:	2.07
IP(EA), eV:	-9.93(1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,3R,4aS,6aR,6bS,8aR,11R,12S,12aS,14aS,14bS)-1,2-dihydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicen-3-yl] acetate

Drug info:

PubChemData

Smile

C[C@@H]1COCO1

DOS

IR

Vibrations