Geometry & MOs

Info

ID:	237545
PubChem CID:	92719581
Reduced:	ClS2N3O3H20C23 (1)
Stoich.:	AB2C3D3E20F23 (1)
Weight, g/mol:	485.063462
ΔH_f, kcal/mol:	-47.3
Dipole, Da:	3.19
IP(EA), eV:	-8.62(-1.58)
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-[[(2R)-oxolan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=O)CN2C3=C(SC(=S)N3C4=CC=CC=C4C2=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations