Geometry & MOs

Info

ID:	403
PubChem CID:	2714
Reduced:	ClO4C23H29 (1)
Stoich.:	AB4C23D29 (1)
Weight, g/mol:	404.175437
ΔH_f, kcal/mol:	-190.27
Dipole, Da:	6.95
IP(EA), eV:	-9.67(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)OC(=O)C

DOS

IR

Vibrations