Geometry & MOs

Info

ID:	369525
PubChem CID:	127334295
Reduced:	OSN4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	42.13
Dipole, Da:	2.59
IP(EA), eV:	-8.75(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-methyl-1-oxo-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)pentan-2-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CSCCN1C(=O)C2=NC=CC(=C2)N3C=CC=N3

DOS

IR

Vibrations