Geometry & MOs

Info

ID:	58671
PubChem CID:	24712448
Reduced:	SF2N2O3C14H14 (1)
Stoich.:	AB2C2D3E14F14 (1)
Weight, g/mol:	337.106256
ΔH_f, kcal/mol:	-150.52
Dipole, Da:	4.65
IP(EA), eV:	-9.45(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid

Drug info:

PubChemData

Smile

COCCNC(=O)C1=CSC(=N1)COC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations