Geometry & MOs

Info

ID:	136800
PubChem CID:	52102556
Reduced:	SN4O4C24H27 (1)
Stoich.:	AB4C4D24E27 (1)
Weight, g/mol:	468.183127
ΔH_f, kcal/mol:	-95.46
Dipole, Da:	12.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761903
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(butylcarbamoylsulfamoyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)NC4=C3CCCC4)[O-]

DOS

IR

Vibrations