Geometry & MOs

Info

ID:	130995
PubChem CID:	51141610
Reduced:	ClSO2N4C14H17 (1)
Stoich.:	ABC2D4E14F17 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-47.76
Dipole, Da:	6.58
IP(EA), eV:	-9.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-oxo-2-(4-propylphenyl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CCCN1C(=O)NN=C1SC(C)C(=O)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations