Geometry & MOs

Info

ID:	87894
PubChem CID:	49898467
Reduced:	SN2O3H22C26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	566.187543
ΔH_f, kcal/mol:	-24.84
Dipole, Da:	8.59
IP(EA), eV:	-8.5(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC=CO2)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations