Geometry & MOs

Info

ID:	152814
PubChem CID:	56311888
Reduced:	SO2N5C25H29 (1)
Stoich.:	AB2C5D25E29 (1)
Weight, g/mol:	422.243024
ΔH_f, kcal/mol:	-2.88
Dipole, Da:	3.5
IP(EA), eV:	-9.2(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-1-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CN3CCN(CC3)C(=O)CC4=CC=CC=C4C

DOS

IR

Vibrations