Geometry & MOs

Info

ID:	153051
PubChem CID:	56312174
Reduced:	SO2N5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	474.09027
ΔH_f, kcal/mol:	7.07
Dipole, Da:	1.16
IP(EA), eV:	-9.01(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-nitrophenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC4=NSN=C43

DOS

IR

Vibrations