Geometry & MOs

Info

ID:	130996
PubChem CID:	51141611
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	289.011032
ΔH_f, kcal/mol:	-40.61
Dipole, Da:	4.12
IP(EA), eV:	-8.96(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(=O)CSC2=NNC(=O)N2CCC

DOS

IR

Vibrations