Geometry & MOs

Info

ID:

88241

PubChem CID:

49902515

Reduced:

BrNS2O5H16C23 (1)

Stoich.:

ABC2D5E16F23 (1)

Weight, g/mol:

732.84922

ΔHf, kcal/mol:

-105.33

Dipole, Da:

8.3

IP(EA), eV:

 -9.41(-1.15)

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-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations