Geometry & MOs

Info

ID:	243308
PubChem CID:	99218273
Reduced:	SN4O4C22H24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	433.076613
ΔH_f, kcal/mol:	-92.02
Dipole, Da:	5.29
IP(EA), eV:	-9.34(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylsulfamoyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1NC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

DOS

IR

Vibrations