Geometry & MOs

Info

ID:

87216

PubChem CID:

49893283

Reduced:

Cl2N2S2O7H14C23 (1)

Stoich.:

A2B2C2D7E14F23 (1)

Weight, g/mol:

543.031014

ΔHf, kcal/mol:

-127.5

Dipole, Da:

5.64

IP(EA), eV:

 -9.38(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations