Geometry & MOs

Info

ID:

87033

PubChem CID:

49890769

Reduced:

SN2O7H24C25 (1)

Stoich.:

AB2C7D24E25 (1)

Weight, g/mol:

550.073213

ΔHf, kcal/mol:

-215.1

Dipole, Da:

4.87

IP(EA), eV:

 -8.88(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)N4CCOCC4)OC

DOS

IR

Vibrations