Geometry & MOs

Info

ID:	151819
PubChem CID:	56310632
Reduced:	SN3O4C24H35 (1)
Stoich.:	AB3C4D24E35 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-171.73
Dipole, Da:	6.7
IP(EA), eV:	-9.13(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-3-nitrophenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N(C3CCCC3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations