Geometry & MOs

Info

ID:	18468
PubChem CID:	541385
Reduced:	O3C29H48 (1)
Stoich.:	A3B29C48 (1)
Weight, g/mol:	444.360345
ΔH_f, kcal/mol:	-221.8
Dipole, Da:	2.98
IP(EA), eV:	-9.64(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10,13-dimethyl-17-(6-methylheptan-2-yl)-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(C4)OC(=O)C)C)C

DOS

IR

Vibrations