Geometry & MOs

Info

ID:

425590

PubChem CID:

135126823

Reduced:

S2O3N5C28H37 (1)

Stoich.:

A2B3C5D28E37 (1)

Weight, g/mol:

500.107579

ΔHf, kcal/mol:

-30.77

Dipole, Da:

7.4

IP(EA), eV:

 -8.86(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[(5E)-5-[(E)-4-cyclohepta-1,3-dien-1-yl-4-hydroxybut-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NN3C(=N)/C(=C\C4C5(CCCCCCC5)CC(O4)SCC6=CC=CO6)/C(=O)N=C3S2

DOS

IR

Vibrations