Geometry & MOs

Info

ID:

87895

PubChem CID:

49898471

Reduced:

SN2O5H30C33 (1)

Stoich.:

AB2C5D30E33 (1)

Weight, g/mol:

522.161328

ΔHf, kcal/mol:

-115.71

Dipole, Da:

2.5

IP(EA), eV:

 -8.65(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC4=CC=CC=C43)OCC(=O)NC5=C(C=CC(=C5)C)C

DOS

IR

Vibrations