Geometry & MOs

Info

ID:	21270
PubChem CID:	587819
Reduced:	ClSO2N3H8C14 (1)
Stoich.:	ABC2D3E8F14 (1)
Weight, g/mol:	317.002575
ΔH_f, kcal/mol:	39.66
Dipole, Da:	4.99
IP(EA), eV:	-9.15(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(thiadiazol-4-yl)phenyl] 2-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)Cl)C(=O)OC2=CC=C(C=C2)C3=CSN=N3

DOS

IR

Vibrations