Geometry & MOs

Info

ID:	124785
PubChem CID:	50895922
Reduced:	ClOSN5H12C14 (1)
Stoich.:	ABCD5E12F14 (1)
Weight, g/mol:	399.94909
ΔH_f, kcal/mol:	79.85
Dipole, Da:	3.27
IP(EA), eV:	-9.53(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(3-iodophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=NN=C3N2N=C(S3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations