Geometry & MOs

Info

ID:	166871
PubChem CID:	74746858
Reduced:	FN2O7C22H25 (1)
Stoich.:	AB2C7D22E25 (1)
Weight, g/mol:	466.227671
ΔH_f, kcal/mol:	-321.37
Dipole, Da:	2.29
IP(EA), eV:	-9.32(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C(=O)OCC(=O)NC2=CC(=CC=C2)F

DOS

IR

Vibrations