Geometry & MOs

Info

ID:	358570
PubChem CID:	127296259
Reduced:	SO2N4C14H22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	296.130697
ΔH_f, kcal/mol:	-27.45
Dipole, Da:	7.59
IP(EA), eV:	-8.41(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-1-(2-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1CCCC(N1C(=O)CS(=O)C2=NNC(=N2)C3CC3)C

DOS

IR

Vibrations