Geometry & MOs

Info

ID:

86844

PubChem CID:

49889633

Reduced:

ClFNSO4H21C26 (1)

Stoich.:

ABCDE4F21G26 (1)

Weight, g/mol:

534.162471

ΔHf, kcal/mol:

-129.9

Dipole, Da:

4.33

IP(EA), eV:

 -8.78(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-2-[2-ethoxy-4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)OCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations