Geometry & MOs

Info

ID:	173512
PubChem CID:	75647357
Reduced:	SN2O3C24H34 (1)
Stoich.:	AB2C3D24E34 (1)
Weight, g/mol:	362.976179
ΔH_f, kcal/mol:	-129.54
Dipole, Da:	1.94
IP(EA), eV:	-8.51(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[[5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]phenolate

Drug info:

PubChemData

Smile

CC1CCCCN1CC2C3C(=C(C(=C(O3)C)C4=NC5CCCCC5S4)O)CCC2=O

DOS

IR

Vibrations