Geometry & MOs

Info

ID:	18346
PubChem CID:	539775
Reduced:	O4C23H32 (1)
Stoich.:	A4B23C32 (1)
Weight, g/mol:	372.23006
ΔH_f, kcal/mol:	-146.91
Dipole, Da:	4.77
IP(EA), eV:	-9.69(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)C1=CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)OC(=O)C)C)C

DOS

IR

Vibrations