Geometry & MOs

Info

ID:

88158

PubChem CID:

49901937

Reduced:

ISN2O6H17C20 (1)

Stoich.:

ABC2D6E17F20 (1)

Weight, g/mol:

659.97522

ΔHf, kcal/mol:

-81.19

Dipole, Da:

6.96

IP(EA), eV:

 -8.81(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-bromo-4-[(Z)-[3-[(2-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])I)OC

DOS

IR

Vibrations