Geometry & MOs

Info

ID:

315114

PubChem CID:

126624490

Reduced:

N4O6C26H45 (2)

Stoich.:

A4B6C26D45 (2)

Weight, g/mol:

496.242081

ΔHf, kcal/mol:

-585.0

Dipole, Da:

1.49

IP(EA), eV:

 -9.39(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S,4R,6R)-3,4-dihydroxy-6-[2-[5-(methylamino)pentylcarbamoyl]-4-(2-methylpropanoyloxymethyl)phenoxy]oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C(C)C)N(C)C(=O)COCCOCCNC(=O)CCCCCC(=O)NN

DOS

IR

Vibrations