Geometry & MOs

Info

ID:	278867
PubChem CID:	103839214
Reduced:	BrNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	320.95898
ΔH_f, kcal/mol:	-31.75
Dipole, Da:	2.08
IP(EA), eV:	-8.69(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2CC2(C)C)Br

DOS

IR

Vibrations