Geometry & MOs

Info

ID:	31773
PubChem CID:	3718048
Reduced:	ClNS2O3H10C14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	477.278013
ΔH_f, kcal/mol:	-50.67
Dipole, Da:	3.96
IP(EA), eV:	-8.69(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3-(4-benzhydrylpiperazin-1-yl)propyl]-2,3-dihydro-1H-carbazol-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=C2O)Cl)NS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations