Geometry & MOs

Info

ID:	203563
PubChem CID:	79846104
Reduced:	N2S2O4C13H20 (1)
Stoich.:	A2B2C4D13E20 (1)
Weight, g/mol:	326.075885
ΔH_f, kcal/mol:	-146.5
Dipole, Da:	7.39
IP(EA), eV:	-9.4(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N,6-dimethyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCS(=O)(=O)C)S(=O)(=O)C1=CC=CC2=C1CCNC2

DOS

IR

Vibrations