Geometry & MOs

Info

ID:	252279
PubChem CID:	103110235
Reduced:	OSN2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	351.9978
ΔH_f, kcal/mol:	-17.35
Dipole, Da:	4.2
IP(EA), eV:	-8.56(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-5-bromo-2-chlorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC(=O)CCCC2=CC=CS2

DOS

IR

Vibrations