Geometry & MOs

Info

ID:	37858
PubChem CID:	8025149
Reduced:	SO3N4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	331.124215
ΔH_f, kcal/mol:	-14.48
Dipole, Da:	7.34
IP(EA), eV:	-8.56(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-[(5E)-5-[(4-tert-butylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)[C@@H](C)SC2=NC(=O)C(=C(N2)C3=CC=CO3)C#N

DOS

IR

Vibrations