Geometry & MOs

Info

ID:	67961
PubChem CID:	46507513
Reduced:	ClO2S2N3H20C22 (1)
Stoich.:	AB2C2D3E20F22 (1)
Weight, g/mol:	477.013924
ΔH_f, kcal/mol:	-15.92
Dipole, Da:	3.66
IP(EA), eV:	-8.51(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,4-dichlorophenyl)-5-oxo-1-sulfanylidene-[1,3]thiazolo[3,4-a]quinazolin-4-yl]-N-propylacetamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CN1C2=C(SC(=S)N2C3=CC=CC=C3C1=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations