Geometry & MOs

Info

ID:	234295
PubChem CID:	92298117
Reduced:	SN3O4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	412.109293
ΔH_f, kcal/mol:	-93.94
Dipole, Da:	3.33
IP(EA), eV:	-8.35(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)NNC(=O)C3=CC=CS3

DOS

IR

Vibrations