Geometry & MOs

Info

ID:	67871
PubChem CID:	46507342
Reduced:	SO3N4H14C15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	505.068547
ΔH_f, kcal/mol:	-70.18
Dipole, Da:	6.11
IP(EA), eV:	-9.23(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-chlorophenyl)-5-oxo-1-sulfanylidene-[1,3]thiazolo[3,4-a]quinazolin-4-yl]-N-(2-ethylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CN=CC=C1CNC(=O)CCN2C(=O)C3=C(C=CS3)NC2=O

DOS

IR

Vibrations