Geometry & MOs

Info

ID:	63407
PubChem CID:	26758261
Reduced:	N2O5H20C21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	-164.06
Dipole, Da:	6.44
IP(EA), eV:	-8.94(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-2-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations