Geometry & MOs

Info

ID:	305247
PubChem CID:	124767775
Reduced:	OC3H4 (5)
Stoich.:	AB3C4 (5)
Weight, g/mol:	316.24023
ΔH_f, kcal/mol:	-214.64
Dipole, Da:	6.75
IP(EA), eV:	-9.95(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S,8S,9R,10S,13S,14R)-3-acetyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](C1(C)C)/C(=C/[C@H](CC(=O)O)C(=O)O)/C2=O

DOS

IR

Vibrations