Geometry & MOs

Info

ID:	237544
PubChem CID:	92719579
Reduced:	OSN4C21H28 (1)
Stoich.:	ABC4D21E28 (1)
Weight, g/mol:	485.063462
ΔH_f, kcal/mol:	-3.88
Dipole, Da:	5.05
IP(EA), eV:	-8.28(-0.46)
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-[[(2S)-oxolan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@@H]1CCCN(C1)C2=NN=C(C=C2)SC3=CC=C(C=C3)C

DOS

IR

Vibrations