Geometry & MOs

Info

ID:	67962
PubChem CID:	46507514
Reduced:	Cl2O2S2N3H17C21 (1)
Stoich.:	A2B2C2D3E17F21 (1)
Weight, g/mol:	477.079254
ΔH_f, kcal/mol:	-14.84
Dipole, Da:	4.11
IP(EA), eV:	-8.5(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)CN1C2=C(SC(=S)N2C3=CC=CC=C3C1=O)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations