Geometry & MOs

Info

ID:

88082

PubChem CID:

49900687

Reduced:

ClNSO4H22C29 (1)

Stoich.:

ABCD4E22F29 (1)

Weight, g/mol:

554.151158

ΔHf, kcal/mol:

-58.39

Dipole, Da:

4.75

IP(EA), eV:

 -8.82(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-methoxy-4-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(2-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC4=CC=CC=C43)OCC5=CC=C(C=C5)Cl

DOS

IR

Vibrations