Geometry & MOs

Info

ID:	348317
PubChem CID:	127273382
Reduced:	SO2N5C16H21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	335.152829
ΔH_f, kcal/mol:	-37.49
Dipole, Da:	5.09
IP(EA), eV:	-9.44(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)CC(C3=CC=CS3)NC(=O)C

DOS

IR

Vibrations