Geometry & MOs

Info

ID:	392661
PubChem CID:	135017549
Reduced:	SO3N6H10C18 (1)
Stoich.:	AB3C6D10E18 (1)
Weight, g/mol:	337.034354
ΔH_f, kcal/mol:	20.85
Dipole, Da:	7.46
IP(EA), eV:	-9.0(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(S2)N3C(=O)C4=CC=CC=C4N5C3=NC(=O)NC5=O

DOS

IR

Vibrations