Geometry & MOs

Info

ID:	152148
PubChem CID:	56311015
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	440.188212
ΔH_f, kcal/mol:	-55.88
Dipole, Da:	7.91
IP(EA), eV:	-8.81(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C(C1=CC=CC=C1)N2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations