Geometry & MOs

Info

ID:

11636

PubChem CID:

118376

Reduced:

N3S4O6H17C21 (1)

Stoich.:

A3B4C6D17E21 (1)

Weight, g/mol:

535.00002

ΔHf, kcal/mol:

-156.92

Dipole, Da:

14.6

IP(EA), eV:

 -8.52(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-5-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2SC1=CC=C3C(=O)N(C(=C4C(=O)N(C(=S)S4)CC(=O)O)S3)CC(=O)O

DOS

IR

Vibrations