Geometry & MOs

Info

ID:	67957
PubChem CID:	46507508
Reduced:	OF2N2S2H14C23 (1)
Stoich.:	AB2C2D2E14F23 (1)
Weight, g/mol:	470.012589
ΔH_f, kcal/mol:	-14.01
Dipole, Da:	2.46
IP(EA), eV:	-8.59(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-4-[(3,5-difluorophenyl)methyl]-1-sulfanylidene-[1,3]thiazolo[3,4-a]quinazolin-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3N(C(=O)C4=CC=CC=C4N3C(=S)S2)CC5=CC(=CC(=C5)F)F

DOS

IR

Vibrations