Geometry & MOs

Info

ID:	36247
PubChem CID:	7982387
Reduced:	ClSO2N4C20H27 (1)
Stoich.:	ABC2D4E20F27 (1)
Weight, g/mol:	283.054611
ΔH_f, kcal/mol:	-54.87
Dipole, Da:	6.23
IP(EA), eV:	-8.81(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-chloro-2-methoxyphenyl)-3-propylsulfanyl-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@H]1C)NC(=O)[C@@H](C)SC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations