Geometry & MOs

Info

ID:	336079
PubChem CID:	127255086
Reduced:	SO2N4H18C21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	368.207307
ΔH_f, kcal/mol:	18.55
Dipole, Da:	7.49
IP(EA), eV:	-8.37(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-2-(tetrazol-1-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)N2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=CC=C4

DOS

IR

Vibrations