Geometry & MOs

Info

ID:	68326
PubChem CID:	46508193
Reduced:	N2O2F3H13C15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	418.146347
ΔH_f, kcal/mol:	-194.89
Dipole, Da:	2.24
IP(EA), eV:	-8.94(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-methoxynaphthalen-2-yl)methyl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2=CN=C(C=C2)OCC(F)(F)F

DOS

IR

Vibrations