Geometry & MOs

Info

ID:	152345
PubChem CID:	56311260
Reduced:	SO2N4C27H30 (1)
Stoich.:	AB2C4D27E30 (1)
Weight, g/mol:	440.20597
ΔH_f, kcal/mol:	-17.72
Dipole, Da:	2.49
IP(EA), eV:	-8.39(-0.63)
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]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3CCC4=C3C=CC(=C4)C5=CSC(=N5)C

DOS

IR

Vibrations