Geometry & MOs

Info

ID:	358571
PubChem CID:	127296260
Reduced:	SO2N4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	324.161997
ΔH_f, kcal/mol:	-20.78
Dipole, Da:	6.6
IP(EA), eV:	-8.68(-0.2)
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-(3,5-dimethylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)CS(=O)C2=NNC(=N2)C3CC3

DOS

IR

Vibrations