Geometry & MOs

Info

ID:	230236
PubChem CID:	87570488
Reduced:	NOCl2C5H13 (1)
Stoich.:	ABC2D5E13 (1)
Weight, g/mol:	674.209815
ΔH_f, kcal/mol:	-87.59
Dipole, Da:	3.51
IP(EA), eV:	-10.08(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(10S,11S,13S,17R)-17-(cyanomethylsulfanylcarbonyl)-9-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-(4-carbamoyl-3-hydroxyphenoxy)benzoate

Drug info:

PubChemData

Smile

CCOC(C)C(Cl)Cl.N

DOS

IR

Vibrations