Geometry & MOs

Info

ID:

87606

PubChem CID:

49895745

Reduced:

SN2O4H26C28 (1)

Stoich.:

AB2C4D26E28 (1)

Weight, g/mol:

460.145678

ΔHf, kcal/mol:

-96.55

Dipole, Da:

5.46

IP(EA), eV:

 -8.85(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=CC=C3)OCC(=O)NC4=CC=CC(=C4C)C)/SC2=O

DOS

IR

Vibrations