Geometry & MOs

Info

ID:	207493
PubChem CID:	80404094
Reduced:	BrClSN2H8C12 (1)
Stoich.:	ABCD2E8F12 (1)
Weight, g/mol:	285.06689
ΔH_f, kcal/mol:	79.48
Dipole, Da:	3.17
IP(EA), eV:	-8.96(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(2-chloro-5-cyanophenyl)-2-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)NCC2=CC(=CS2)Br)Cl

DOS

IR

Vibrations