Geometry & MOs

Info

ID:	342288
PubChem CID:	127265065
Reduced:	ClSN2O2C16H17 (1)
Stoich.:	ABC2D2E16F17 (1)
Weight, g/mol:	334.052447
ΔH_f, kcal/mol:	-32.83
Dipole, Da:	3.73
IP(EA), eV:	-9.31(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-6-[2-(2-pyridin-2-yl-1,3-thiazol-5-yl)ethenyl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

COCC1CCCN1C(=O)C2=CN=C(S2)C3=CC=CC=C3Cl

DOS

IR

Vibrations