Geometry & MOs

Info

ID:

86668

PubChem CID:

49888382

Reduced:

N2S2O7H16C23 (1)

Stoich.:

A2B2C7D16E23 (1)

Weight, g/mol:

485.015843

ΔHf, kcal/mol:

-107.46

Dipole, Da:

2.14

IP(EA), eV:

 -9.4(-2.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations