Geometry & MOs

Info

ID:

299050

PubChem CID:

117670342

Reduced:

NH35C45 (1)

Stoich.:

AB35C45 (1)

Weight, g/mol:

377.143429

ΔHf, kcal/mol:

417.96

Dipole, Da:

2.52

IP(EA), eV:

 -8.02(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(1S,3R,4R,6S)-3-(carboxymethylamino)-2,4,6-trihydroxy-5-[(2-oxooxolan-3-yl)amino]cyclohexyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1CC=C(C=C1)C2=C3C4=CC=CC5C4C(=CC6=C5C=CCC6)C3=C(C7=C2C=C(C#C7)C/C=C\8/C=CC=C/C8=C/N)C9=CC=CC=C9

DOS

IR

Vibrations