Geometry & MOs

Info

ID:	121443
PubChem CID:	50768268
Reduced:	FO2S2N3H22C24 (1)
Stoich.:	AB2C2D3E22F24 (1)
Weight, g/mol:	457.068547
ΔH_f, kcal/mol:	-47.23
Dipole, Da:	6.21
IP(EA), eV:	-8.34(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CN2C3=C(SC(=S)N3C4=CC=CC=C4C2=O)C5=CC=CC=C5F

DOS

IR

Vibrations