Geometry & MOs

Info

ID:

88196

PubChem CID:

49902258

Reduced:

Cl2N2S2O6H18C25 (1)

Stoich.:

A2B2C2D6E18F25 (1)

Weight, g/mol:

712.90384

ΔHf, kcal/mol:

-178.38

Dipole, Da:

11.01

IP(EA), eV:

 -9.22(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxy-6-iodophenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=CC=C4)Cl)Cl

DOS

IR

Vibrations