Geometry & MOs

Info

ID:	240632
PubChem CID:	93616870
Reduced:	SO2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	336.136845
ΔH_f, kcal/mol:	-9.31
Dipole, Da:	8.32
IP(EA), eV:	-9.31(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-methyl-N-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]piperidine-1-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H](CN1C=CC=N1)NS(=O)(=O)C2=CC3=CC=CC=C3CC2

DOS

IR

Vibrations