Geometry & MOs

Info

ID:	1264
PubChem CID:	4063
Reduced:	O5C22H28 (1)
Stoich.:	A5B22C28 (1)
Weight, g/mol:	372.193674
ΔH_f, kcal/mol:	-208.64
Dipole, Da:	7.6
IP(EA), eV:	-9.84(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione

Drug info:

PubChemData

Smile

CC1CC2C3CCC4=CC(=O)C=CC4(C3C(=O)CC2(C1(C(=O)CO)O)C)C

DOS

IR

Vibrations