Geometry & MOs

Info

ID:	56200
PubChem CID:	17422521
Reduced:	ClN2O2S2H11C15 (1)
Stoich.:	AB2C2D2E11F15 (1)
Weight, g/mol:	309.060569
ΔH_f, kcal/mol:	-10.83
Dipole, Da:	5.68
IP(EA), eV:	-8.66(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropyl-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C=CS2)N=C1SCC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations