Geometry & MOs

Info

ID:	67965
PubChem CID:	46507518
Reduced:	Cl2O2S2N3H19C22 (1)
Stoich.:	A2B2C2D3E19F22 (1)
Weight, g/mol:	489.079254
ΔH_f, kcal/mol:	-17.94
Dipole, Da:	4.27
IP(EA), eV:	-8.55(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-oxo-2-pyrrolidin-1-ylethyl)-1-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,4-a]quinazolin-5-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations