Geometry & MOs

Info

ID:

343257

PubChem CID:

127266430

Reduced:

N2S2Cl3O4H23C27 (1)

Stoich.:

A2B2C3D4E23F27 (1)

Weight, g/mol:

608.016483

ΔHf, kcal/mol:

-125.82

Dipole, Da:

6.89

IP(EA), eV:

 -8.51(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (5Z)-5-[[5-amino-3-(2-chlorophenyl)-4-ethoxycarbonylthiophen-2-yl]methylidene]-4-(2-chlorophenyl)-2-iminothiophene-3-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=CC2=C(C(=C(S2)N)C(=O)OCC)C3=CC=C(C=C3)Cl)SC1=N)C4=CC=C(C=C4)Cl.Cl

DOS

IR

Vibrations