Geometry & MOs

Info

ID:	138435
PubChem CID:	52366887
Reduced:	ClSN2O3C20H23 (1)
Stoich.:	ABC2D3E20F23 (1)
Weight, g/mol:	350.072513
ΔH_f, kcal/mol:	-97.59
Dipole, Da:	3.96
IP(EA), eV:	-8.71(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

4-methyl-3-[[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxido-1,3-thiazol-2-ylidene]amino]benzoate

Drug info:

PubChemData

Smile

CCC(=O)N[C@@H](CCSC)C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2Cl

DOS

IR

Vibrations