Geometry & MOs

Info

ID:	224860
PubChem CID:	85501766
Reduced:	ClSN3O3H22C24 (1)
Stoich.:	ABC3D3E22F24 (1)
Weight, g/mol:	345.033876
ΔH_f, kcal/mol:	-12.64
Dipole, Da:	2.18
IP(EA), eV:	-9.1(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-oxo-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)N2CCC(CC2)C3=NC4=C(S3)C=CC(=C4)Cl)OCC#N

DOS

IR

Vibrations