Geometry & MOs

Info

ID:	227150
PubChem CID:	87560354
Reduced:	N2O2S2C13H22 (1)
Stoich.:	A2B2C2D13E22 (1)
Weight, g/mol:	304.084141
ΔH_f, kcal/mol:	-75.96
Dipole, Da:	6.51
IP(EA), eV:	-8.89(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(methylsulfonyloxymethyl)-1,2,4-triazol-1-yl]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC.CCOC(=S)N.C1=CC=C(C=C1)COC(=S)N

DOS

IR

Vibrations