Geometry & MOs

Info

ID:

87335

PubChem CID:

49894149

Reduced:

SN3O6H29C30 (1)

Stoich.:

AB3C6D29E30 (1)

Weight, g/mol:

579.123084

ΔHf, kcal/mol:

-169.11

Dipole, Da:

8.09

IP(EA), eV:

 -8.89(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5Z)-5-[[4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)OCC(=O)NC4=C(C=CC(=C4)C)C

DOS

IR

Vibrations