Geometry & MOs

Info

ID:	1001
PubChem CID:	3653
Reduced:	O4C27H40 (1)
Stoich.:	A4B27C40 (1)
Weight, g/mol:	428.29266
ΔH_f, kcal/mol:	-225.83
Dipole, Da:	2.72
IP(EA), eV:	-9.84(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)C

DOS

IR

Vibrations