Geometry & MOs

Info

ID:

88255

PubChem CID:

49902634

Reduced:

ClNSBr2O4H18C25 (1)

Stoich.:

ABCD2E4F18G25 (1)

Weight, g/mol:

570.078298

ΔHf, kcal/mol:

-69.2

Dipole, Da:

5.62

IP(EA), eV:

 -9.04(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[4-[(Z)-[3-[(3-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=CC=C(C=C3)Br)Cl)OCC4=CC=C(C=C4)Br

DOS

IR

Vibrations