Geometry & MOs

Info

ID:	446380
PubChem CID:	135274557
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	498.407296
ΔH_f, kcal/mol:	-72.17
Dipole, Da:	3.03
IP(EA), eV:	-9.61(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,8S,9S,10R,13R,14R,17S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-oxohexanoate

Drug info:

PubChemData

Smile

CCC1=CC2CC1C3(C2(C(=O)CC3=O)C)C

DOS

IR

Vibrations