Geometry & MOs

Info

ID:	30814
PubChem CID:	841961
Reduced:	NO2H17C19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	338.968769
ΔH_f, kcal/mol:	-26.88
Dipole, Da:	2.0
IP(EA), eV:	-9.09(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dichloro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC)C

DOS

IR

Vibrations