Geometry & MOs

Info

ID:

88249

PubChem CID:

49902611

Reduced:

ClNSBr2O4H20C26 (1)

Stoich.:

ABCD2E4F20G26 (1)

Weight, g/mol:

566.05111

ΔHf, kcal/mol:

-76.03

Dipole, Da:

4.63

IP(EA), eV:

 -9.21(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations