Geometry & MOs

Info

ID:

307439

PubChem CID:

125299946

Reduced:

NO6H11C12 (2)

Stoich.:

AB6C11D12 (2)

Weight, g/mol:

530.117274

ΔHf, kcal/mol:

-457.44

Dipole, Da:

6.65

IP(EA), eV:

 -9.68(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2R)-2-[[4-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]carbonylamino]propanoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=O)OC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O

DOS

IR

Vibrations