Geometry & MOs

Info

ID:	20778
PubChem CID:	585656
Reduced:	O4C25H34 (1)
Stoich.:	A4B25C34 (1)
Weight, g/mol:	398.24571
ΔH_f, kcal/mol:	-184.06
Dipole, Da:	7.39
IP(EA), eV:	-9.76(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17-acetyl-6,10,13,16-tetramethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl) acetate

Drug info:

PubChemData

Smile

CC1CC2C(CCC3(C2CC(C3(C(=O)C)OC(=O)C)C)C)C4(C1=CC(=O)C=C4)C

DOS

IR

Vibrations