Geometry & MOs

Info

ID:	184533
PubChem CID:	77173588
Reduced:	SO5C20H20 (1)
Stoich.:	AB5C20D20 (1)
Weight, g/mol:	287.224915
ΔH_f, kcal/mol:	-150.76
Dipole, Da:	8.17
IP(EA), eV:	-8.78(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-10,13-dimethyl-4,5,6,7,8,9,11,12,14,17-decahydro-3H-cyclopenta[a]phenanthren-17-ol

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC(=C1O)C(=O)C=CC2=CC=C(C=C2)SC)C(=O)O

DOS

IR

Vibrations