Geometry & MOs

Info

ID:	67756
PubChem CID:	46507103
Reduced:	SF2N4O4H16C18 (1)
Stoich.:	AB2C4D4E16F18 (1)
Weight, g/mol:	322.088832
ΔH_f, kcal/mol:	-156.67
Dipole, Da:	6.04
IP(EA), eV:	-8.59(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-phenylethyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=NN2)C(=O)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations