Geometry & MOs

Info

ID:	33950
PubChem CID:	7888964
Reduced:	NO4H15C23 (1)
Stoich.:	AB4C15D23 (1)
Weight, g/mol:	301.099731
ΔH_f, kcal/mol:	-64.01
Dipole, Da:	8.76
IP(EA), eV:	-9.02(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)C4=CNC5=CC=CC=C54

DOS

IR

Vibrations