Geometry & MOs

Info

ID:	197655
PubChem CID:	78984255
Reduced:	OSN2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	300.073262
ΔH_f, kcal/mol:	-4.41
Dipole, Da:	3.03
IP(EA), eV:	-8.22(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-2-methylphenyl)-6-fluoro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)SC)N

DOS

IR

Vibrations