Geometry & MOs

Info

ID:

302652

PubChem CID:

124391336

Reduced:

N6O6C25H36 (1)

Stoich.:

A6B6C25D36 (1)

Weight, g/mol:

457.137281

ΔHf, kcal/mol:

-239.48

Dipole, Da:

9.44

IP(EA), eV:

 -9.39(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-2-[[2-[[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N3CCC(CC3)C(=O)N[C@H](CCCN=C(N)N)C(=O)O

DOS

IR

Vibrations