Geometry & MOs

Info

ID:	147680
PubChem CID:	53787337
Reduced:	ClN2O2H15C20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	372.339216
ΔH_f, kcal/mol:	21.91
Dipole, Da:	4.54
IP(EA), eV:	-8.13(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,10R,13R,14S,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CN2C=C3C=C(C=CC3=C2O)OC4=CC=C(C=C4)Cl

DOS

IR

Vibrations