Geometry & MOs

Info

ID:

84951

PubChem CID:

49870897

Reduced:

O4N7C31H31 (1)

Stoich.:

A4B7C31D31 (1)

Weight, g/mol:

458.194068

ΔHf, kcal/mol:

-0.28

Dipole, Da:

10.23

IP(EA), eV:

 -9.36(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R)-2-[(3E,5E)-6-ethenyl-5,9-dihydroxy-9-methyldeca-3,5-dienyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCCC1=CC(=NN1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)N[C@H](CC5=CC=CC=C5)[C@H](C(=O)O)O

DOS

IR

Vibrations