Geometry & MOs

Info

ID:	17802
PubChem CID:	520279
Reduced:	O2C29H46 (1)
Stoich.:	A2B29C46 (1)
Weight, g/mol:	426.349781
ΔH_f, kcal/mol:	-158.45
Dipole, Da:	2.79
IP(EA), eV:	-9.13(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10,13-dimethyl-17-(6-methylhept-5-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C

DOS

IR

Vibrations