Geometry & MOs

Info

ID:	360362
PubChem CID:	127301005
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	351.172896
ΔH_f, kcal/mol:	-1.03
Dipole, Da:	5.78
IP(EA), eV:	-8.42(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)C3=CC4=C(C=C3)NC5=C4CCCC5

DOS

IR

Vibrations