Geometry & MOs

Info

ID:	67966
PubChem CID:	46507520
Reduced:	O2S2F3N3H18C23 (1)
Stoich.:	A2B2C3D3E18F23 (1)
Weight, g/mol:	454.04214
ΔH_f, kcal/mol:	-150.82
Dipole, Da:	6.28
IP(EA), eV:	-8.51(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CN2C3=C(SC(=S)N3C4=CC=CC=C4C2=O)C5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations