Geometry & MOs

Info

ID:	152233
PubChem CID:	56311120
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	474.208947
ΔH_f, kcal/mol:	-114.53
Dipole, Da:	4.65
IP(EA), eV:	-8.33(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCCOC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations