Geometry & MOs

Info

ID:	132684
PubChem CID:	51401319
Reduced:	FOH11C14 (1)
Stoich.:	ABC11D14 (1)
Weight, g/mol:	279.0352
ΔH_f, kcal/mol:	-36.8
Dipole, Da:	3.37
IP(EA), eV:	-9.45(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC=C(C=C2)C=O)F

DOS

IR

Vibrations