Geometry & MOs

Info

ID:	158038
PubChem CID:	56459428
Reduced:	SO3N5C21H23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	391.125609
ΔH_f, kcal/mol:	-8.88
Dipole, Da:	4.45
IP(EA), eV:	-9.58(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C(C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4CC4

DOS

IR

Vibrations