Geometry & MOs

Info

ID:

86918

PubChem CID:

49889992

Reduced:

BrClFNSO5H18C26 (1)

Stoich.:

ABCDEF5G18H26 (1)

Weight, g/mol:

708.84511

ΔHf, kcal/mol:

-162.38

Dipole, Da:

4.35

IP(EA), eV:

 -9.39(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-iodo-6-methoxyphenyl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)Br)OC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations