Geometry & MOs

Info

ID:	67967
PubChem CID:	46507522
Reduced:	ON2S2F3H13C23 (1)
Stoich.:	AB2C2D3E13F23 (1)
Weight, g/mol:	466.062126
ΔH_f, kcal/mol:	-62.11
Dipole, Da:	1.71
IP(EA), eV:	-8.68(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C3=C(SC(=S)N23)C4=CC(=CC=C4)F)CC5=CC(=CC(=C5)F)F

DOS

IR

Vibrations