Geometry & MOs

Info

ID:	33957
PubChem CID:	7888995
Reduced:	N3O4H17C19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	332.167083
ΔH_f, kcal/mol:	-103.55
Dipole, Da:	5.75
IP(EA), eV:	-9.06(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)OC(=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations