Geometry & MOs

Info

ID:	68761
PubChem CID:	46509041
Reduced:	ClSN3O5C20H20 (1)
Stoich.:	ABC3D5E20F20 (1)
Weight, g/mol:	490.086639
ΔH_f, kcal/mol:	-130.88
Dipole, Da:	7.66
IP(EA), eV:	-9.47(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-(2-methoxyphenyl)-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CN4C=C(C=CC4=N3)Cl

DOS

IR

Vibrations