Geometry & MOs

Info

ID:	272874
PubChem CID:	103763251
Reduced:	BrClNOC17H17 (1)
Stoich.:	ABCDE17F17 (1)
Weight, g/mol:	354.94333
ΔH_f, kcal/mol:	-25.54
Dipole, Da:	3.07
IP(EA), eV:	-8.87(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-chloro-N-(2-methylsulfanylphenyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations