Geometry & MOs

Info

ID:	270993
PubChem CID:	103639168
Reduced:	BrON2F3H10C14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	349.0136
ΔH_f, kcal/mol:	-144.48
Dipole, Da:	1.88
IP(EA), eV:	-9.49(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2=NC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations