Geometry & MOs

Info

ID:	151929
PubChem CID:	56310762
Reduced:	SN4O4C23H30 (1)
Stoich.:	AB4C4D23E30 (1)
Weight, g/mol:	426.19032
ΔH_f, kcal/mol:	-131.55
Dipole, Da:	6.46
IP(EA), eV:	-9.12(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations