Geometry & MOs

Info

ID:	60018
PubChem CID:	26664708
Reduced:	O4N5C20H23 (1)
Stoich.:	A4B5C20D23 (1)
Weight, g/mol:	422.052563
ΔH_f, kcal/mol:	-108.98
Dipole, Da:	4.02
IP(EA), eV:	-8.89(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(butylsulfamoyl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCC[C@H]3C4=CC=C(C=C4)OC

DOS

IR

Vibrations