Geometry & MOs

Info

ID:

17507

PubChem CID:

502278

Reduced:

N5O7C28H51 (1)

Stoich.:

A5B7C28D51 (1)

Weight, g/mol:

569.378849

ΔHf, kcal/mol:

-364.74

Dipole, Da:

4.48

IP(EA), eV:

 -9.46(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2S)-1-(hexadecanoylamino)-2,3-dihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N[C@@H]([C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N=C(N)N)NC(=O)C)[C@@H](CO)O

DOS

IR

Vibrations