Geometry & MOs

Info

ID:	163910
PubChem CID:	74380762
Reduced:	OSN3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	442.146347
ΔH_f, kcal/mol:	36.36
Dipole, Da:	5.05
IP(EA), eV:	-8.65(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethylphenyl)methylideneamino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C=NNC(=O)CSC2=CC=CC=N2)C

DOS

IR

Vibrations