Geometry & MOs

Info

ID:

15659

PubChem CID:

446970

Reduced:

N4O12C19H32 (1)

Stoich.:

A4B12C19D32 (1)

Weight, g/mol:

508.201672

ΔHf, kcal/mol:

-556.38

Dipole, Da:

5.6

IP(EA), eV:

 -9.79(0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-5-amino-4-[[(2R)-2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-[carboxy(methyl)amino]-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N(C)C(=O)O

DOS

IR

Vibrations