Geometry & MOs

Info

ID:	178464
PubChem CID:	76333283
Reduced:	ClO2N3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	362.047361
ΔH_f, kcal/mol:	-25.61
Dipole, Da:	4.52
IP(EA), eV:	-8.91(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyridazine-3,6-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC2=C3C=CC(=CC3=NC=C2)Cl)O)CNCCO

DOS

IR

Vibrations