Geometry & MOs

Info

ID:

87467

PubChem CID:

49894823

Reduced:

N2S2O7H18C24 (1)

Stoich.:

A2B2C7D18E24 (1)

Weight, g/mol:

581.05077

ΔHf, kcal/mol:

-116.96

Dipole, Da:

4.55

IP(EA), eV:

 -9.25(-2.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-bromo-6-ethoxy-4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC=CC=C3OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations