Geometry & MOs

Info

ID:	179156
PubChem CID:	76443110
Reduced:	ClSN4O6H17C18 (1)
Stoich.:	ABC4D6E17F18 (1)
Weight, g/mol:	392.179916
ΔH_f, kcal/mol:	-152.03
Dipole, Da:	7.54
IP(EA), eV:	-8.95(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-fluoro-17-(2-fluoroacetyl)-17-hydroxy-10,13-dimethyl-16-methylidene-1,6,7,8,11,12,14,15-octahydrocyclopenta[a]phenanthrene-2,3-dione

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(OC1N2C3=NC=NC(=O)C3N=C2SC4=CC=C(C=C4)Cl)CO)O

DOS

IR

Vibrations