Geometry & MOs

Info

ID:	83915
PubChem CID:	49862456
Reduced:	ClSN2O2C18H21 (1)
Stoich.:	ABC2D2E18F21 (1)
Weight, g/mol:	337.063346
ΔH_f, kcal/mol:	-38.21
Dipole, Da:	3.74
IP(EA), eV:	-9.02(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl] acetate

Drug info:

PubChemData

Smile

C1CCN(C1)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations