Geometry & MOs

Info

ID:	36677
PubChem CID:	8010879
Reduced:	SN2O4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	363.169525
ΔH_f, kcal/mol:	-144.28
Dipole, Da:	8.43
IP(EA), eV:	-9.43(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations