Geometry & MOs

Info

ID:	158223
PubChem CID:	56463184
Reduced:	S2O3N4C24H28 (1)
Stoich.:	A2B3C4D24E28 (1)
Weight, g/mol:	408.190989
ΔH_f, kcal/mol:	-32.23
Dipole, Da:	6.22
IP(EA), eV:	-8.42(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations