Geometry & MOs

Info

ID:	195189
PubChem CID:	78652831
Reduced:	N2S2O3C19H19 (1)
Stoich.:	A2B2C3D19E19 (1)
Weight, g/mol:	381.070465
ΔH_f, kcal/mol:	-46.84
Dipole, Da:	7.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754487
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[(3,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)C=C3C(=O)N(C(=S)S3)CCCCC(=O)[O-]

DOS

IR

Vibrations