Geometry & MOs

Info

ID:	181828
PubChem CID:	76799622
Reduced:	NO5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	356.235145
ΔH_f, kcal/mol:	-200.61
Dipole, Da:	3.34
IP(EA), eV:	-9.15(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2C(=O)CC(C2=O)CC3CC4C5C(C3O4)C(=O)N(C5=O)C)C

DOS

IR

Vibrations