Geometry & MOs

Info

ID:	57951
PubChem CID:	24398013
Reduced:	ClOSN5H20C22 (1)
Stoich.:	ABCD5E20F22 (1)
Weight, g/mol:	388.130218
ΔH_f, kcal/mol:	62.52
Dipole, Da:	6.1
IP(EA), eV:	-8.94(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)SCC3=CC=CC=C3C(=O)NC4=C(C=C(C=C4)Cl)C)C

DOS

IR

Vibrations