Geometry & MOs

Info

ID:	148262
PubChem CID:	53787924
Reduced:	ClN2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	382.323566
ΔH_f, kcal/mol:	-69.88
Dipole, Da:	3.55
IP(EA), eV:	-8.58(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-2-ol

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)C(=O)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations