Geometry & MOs

Info

ID:

334802

PubChem CID:

127253477

Reduced:

ClN3O7H20C24 (1)

Stoich.:

AB3C7D20E24 (1)

Weight, g/mol:

476.135029

ΔHf, kcal/mol:

-192.29

Dipole, Da:

4.81

IP(EA), eV:

 -8.96(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-4,5-dimethylimidazol-1-ium-2-yl]-3-(4-hydroxy-3-methoxyphenyl)propanoic acid;chloride

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC=CC5=C4C(=O)NNC5=O

DOS

IR

Vibrations