Geometry & MOs

Info

ID:	62323
PubChem CID:	26719236
Reduced:	SN4O5H24C25 (1)
Stoich.:	AB4C5D24E25 (1)
Weight, g/mol:	299.078013
ΔH_f, kcal/mol:	-46.96
Dipole, Da:	5.67
IP(EA), eV:	-8.79(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-5-fluoro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

DOS

IR

Vibrations