Geometry & MOs

Info

ID:	279201
PubChem CID:	103842011
Reduced:	BrClON2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	322.93824
ΔH_f, kcal/mol:	-7.61
Dipole, Da:	2.42
IP(EA), eV:	-9.95(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(2-methylsulfinylethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)N(CCC#N)C(=O)C1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations