Geometry & MOs

Info

ID:

87121

PubChem CID:

49892525

Reduced:

ClFNSO5H17C25 (1)

Stoich.:

ABCDE5F17G25 (1)

Weight, g/mol:

582.948463

ΔHf, kcal/mol:

-157.09

Dipole, Da:

4.37

IP(EA), eV:

 -9.1(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)OC(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations