Geometry & MOs

Info

ID:	67955
PubChem CID:	46507503
Reduced:	ClFO2S3N4H14C22 (1)
Stoich.:	ABC2D3E4F14G22 (1)
Weight, g/mol:	454.04214
ΔH_f, kcal/mol:	-12.76
Dipole, Da:	5.81
IP(EA), eV:	-8.7(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)SC3=C2N=C(N(C3=O)CC4=CC=CS4)SCC(=O)NC5=C(C=C(C=C5)F)Cl

DOS

IR

Vibrations