Geometry & MOs

Info

ID:	270970
PubChem CID:	103639030
Reduced:	BrN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	362.97288
ΔH_f, kcal/mol:	-17.3
Dipole, Da:	2.23
IP(EA), eV:	-9.42(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2=C(ON=C2C)C

DOS

IR

Vibrations