Geometry & MOs

Info

ID:	145046
PubChem CID:	53452414
Reduced:	OSN7C15H22 (1)
Stoich.:	ABC7D15E22 (1)
Weight, g/mol:	397.085818
ΔH_f, kcal/mol:	90.17
Dipole, Da:	13.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.785564
Charge, e:	-1

Chem-info

IUPAC name:

4-[[5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate

Drug info:

PubChemData

Smile

CCC(CO)NC1=NC2=NN=NN2C3=C1C4=C(S3)C[NH+](CC4)CC

DOS

IR

Vibrations