Geometry & MOs

Info

ID:

88486

PubChem CID:

49903762

Reduced:

S2N3O10H17C24 (1)

Stoich.:

A2B3C10D17E24 (1)

Weight, g/mol:

725.90878

ΔHf, kcal/mol:

-139.63

Dipole, Da:

12.36

IP(EA), eV:

 -9.06(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations