Geometry & MOs

Info

ID:	171560
PubChem CID:	75394423
Reduced:	SO3N8H16C17 (1)
Stoich.:	AB3C8D16E17 (1)
Weight, g/mol:	344.074325
ΔH_f, kcal/mol:	63.62
Dipole, Da:	7.33
IP(EA), eV:	-8.94(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-methylsulfinylphenyl)-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CN1C(=NC=N1)COC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C4=NNN=N4

DOS

IR

Vibrations