Geometry & MOs

Info

ID:	56042
PubChem CID:	17403924
Reduced:	SN2O2F3H15C16 (1)
Stoich.:	AB2C2D3E15F16 (1)
Weight, g/mol:	390.055339
ΔH_f, kcal/mol:	-191.28
Dipole, Da:	3.17
IP(EA), eV:	-8.94(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-5-methylsulfonylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(C2=C1C=C(C=C2)S(=O)(=O)N)CC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations