Geometry & MOs

Info

ID:	73450
PubChem CID:	48417738
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	402.107185
ΔH_f, kcal/mol:	-78.27
Dipole, Da:	6.09
IP(EA), eV:	-8.51(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC(=C1C)NC(=O)CCN2C=CC3=CC=CC=C32

DOS

IR

Vibrations