Geometry & MOs

Info

ID:	73862
PubChem CID:	48420837
Reduced:	ClO3N4H15C20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	335.024374
ΔH_f, kcal/mol:	10.7
Dipole, Da:	4.09
IP(EA), eV:	-9.84(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] thiadiazole-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN=CO2)C(=O)OC(CN3C=NC=N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations