Geometry & MOs

Info

ID:	268448
PubChem CID:	103599423
Reduced:	ClN3O4H16C21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	403.16444
ΔH_f, kcal/mol:	-44.97
Dipole, Da:	3.64
IP(EA), eV:	-8.91(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(furan-2-yl)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CO2)C(=O)NNC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations