Geometry & MOs

Info

ID:

214678

PubChem CID:

85083384

Reduced:

O4N6H28C33 (1)

Stoich.:

A4B6C28D33 (1)

Weight, g/mol:

572.288637

ΔHf, kcal/mol:

-30.02

Dipole, Da:

7.82

IP(EA), eV:

 -8.36(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(4,8-dimethylnona-3,7-dienyl)-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)N)NC(=O)C5=CC=CC=C5C(=O)O

DOS

IR

Vibrations