Geometry & MOs

Info

ID:

87413

PubChem CID:

49894518

Reduced:

ISN2O7H19C22 (1)

Stoich.:

ABC2D7E19F22 (1)

Weight, g/mol:

600.079171

ΔHf, kcal/mol:

-202.6

Dipole, Da:

2.45

IP(EA), eV:

 -8.94(-1.83)

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-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)I)OCC(=O)O

DOS

IR

Vibrations