Geometry & MOs

Info

ID:

87947

PubChem CID:

49898878

Reduced:

SN2O2H24C28 (1)

Stoich.:

AB2C2D24E28 (1)

Weight, g/mol:

560.176979

ΔHf, kcal/mol:

-1.73

Dipole, Da:

9.28

IP(EA), eV:

 -8.51(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[1-[4-(4-methoxyphenoxy)phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC5=CC=CC=C5C=C4)C

DOS

IR

Vibrations