Geometry & MOs

Info

ID:	89354
PubChem CID:	49960644
Reduced:	ClSN3O3H20C21 (1)
Stoich.:	ABC3D3E20F21 (1)
Weight, g/mol:	297.060569
ΔH_f, kcal/mol:	-72.34
Dipole, Da:	7.27
IP(EA), eV:	-8.98(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(acetylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations