Geometry & MOs

Info

ID:

343258

PubChem CID:

127266431

Reduced:

N2S2Cl3O4H23C27 (1)

Stoich.:

A2B2C3D4E23F27 (1)

Weight, g/mol:

540.094427

ΔHf, kcal/mol:

-117.32

Dipole, Da:

9.88

IP(EA), eV:

 -8.7(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 5-[(5-amino-4-ethoxycarbonyl-3-phenylthiophen-2-yl)methylidene]-2-imino-4-phenylthiophene-3-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(/C(=C/C2=C(C(=C(S2)N)C(=O)OCC)C3=CC=CC=C3Cl)/SC1=N)C4=CC=CC=C4Cl.Cl

DOS

IR

Vibrations