Geometry & MOs

Info

ID:	20791
PubChem CID:	585696
Reduced:	O3C32H52 (1)
Stoich.:	A3B32C52 (1)
Weight, g/mol:	484.391646
ΔH_f, kcal/mol:	-215.77
Dipole, Da:	5.8
IP(EA), eV:	-9.47(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-12-oxo-1,2,3,5,6,7,8,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2(C1(C(=O)C=C3C2CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C

DOS

IR

Vibrations