Geometry & MOs

Info

ID:

87544

PubChem CID:

49895293

Reduced:

SO5N6C29H30 (1)

Stoich.:

AB5C6D29E30 (1)

Weight, g/mol:

577.018735

ΔHf, kcal/mol:

-84.47

Dipole, Da:

4.45

IP(EA), eV:

 -9.34(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-chloro-6-ethoxy-4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)OC4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6)/SC2=O

DOS

IR

Vibrations