Geometry & MOs

Info

ID:

17509

PubChem CID:

502285

Reduced:

N4O7C26H48 (1)

Stoich.:

A4B7C26D48 (1)

Weight, g/mol:

528.3523

ΔHf, kcal/mol:

-354.09

Dipole, Da:

2.62

IP(EA), eV:

 -9.76(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCO[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