Geometry & MOs

Info

ID:

87127

PubChem CID:

49892566

Reduced:

SCl2N2F3O6H15C25 (1)

Stoich.:

AB2C2D3E6F15G25 (1)

Weight, g/mol:

570.078298

ΔHf, kcal/mol:

-239.57

Dipole, Da:

5.18

IP(EA), eV:

 -9.46(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[4-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)OC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations