Geometry & MOs

Info

ID:	56115
PubChem CID:	17404565
Reduced:	ON2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	338.152495
ΔH_f, kcal/mol:	0.23
Dipole, Da:	4.65
IP(EA), eV:	-8.89(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC=C1)NC(=O)C2=CC(=NN2)C3=CC=CC=C3

DOS

IR

Vibrations