Geometry & MOs

Info

ID:	49647
PubChem CID:	11533445
Reduced:	ClSO2N3H24C28 (1)
Stoich.:	ABC2D3E24F28 (1)
Weight, g/mol:	502.127068
ΔH_f, kcal/mol:	8.58
Dipole, Da:	2.98
IP(EA), eV:	-8.87(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[4-(4-acetylphenyl)piperazin-1-yl]-7-nitro-2,4-dioxo-1H-quinazolin-3-yl]methanesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC1O)CC2=CC3=C(C=C2)C=C(C=C3)N4C=NC5=C(C4=O)SC(=C5)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations