Geometry & MOs

Info

ID:	352260
PubChem CID:	127283342
Reduced:	SO2N5C18H29 (1)
Stoich.:	AB2C5D18E29 (1)
Weight, g/mol:	332.130697
ΔH_f, kcal/mol:	-80.91
Dipole, Da:	5.02
IP(EA), eV:	-9.03(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3-methylsulfinyl-1,2,4-triazol-4-yl)methyl]phenyl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=O)N2CCN(CC2)C(C)C(=O)NC3CCCC3

DOS

IR

Vibrations