Geometry & MOs

Info

ID:	51147
PubChem CID:	12013775
Reduced:	ClON4H19C25 (1)
Stoich.:	ABC4D19E25 (1)
Weight, g/mol:	471.136511
ΔH_f, kcal/mol:	104.89
Dipole, Da:	3.18
IP(EA), eV:	-8.82(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-benzylideneamino]-2-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)Cl)C(=O)N/N=C/C5=CC=CC=C5

DOS

IR

Vibrations