Geometry & MOs

Info

ID:	179816
PubChem CID:	76535451
Reduced:	ClON2C11H12 (2)
Stoich.:	ABC2D11E12 (2)
Weight, g/mol:	445.147843
ΔH_f, kcal/mol:	-47.7
Dipole, Da:	1.89
IP(EA), eV:	-9.26(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CN2C(CN1CC3=CC=CC=C3)C4C(CC2=O)NN(C4=O)C5=CC=CC=C5Cl.Cl

DOS

IR

Vibrations