Geometry & MOs

Info

ID:

177368

PubChem CID:

76175613

Reduced:

FON3C14H20 (1)

Stoich.:

ABC3D14E20 (1)

Weight, g/mol:

501.048684

ΔHf, kcal/mol:

-83.38

Dipole, Da:

2.09

IP(EA), eV:

 -9.54(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[1-hydroxy-2-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethylidene]-4-methyl-2,6-dioxo-1-(oxolan-2-ylmethyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2NC(C(C(=O)N2)C(C)C)N)F

DOS

IR

Vibrations