Geometry & MOs

Info

ID:

435253

PubChem CID:

135186604

Reduced:

N4O13C18H36 (1)

Stoich.:

A4B13C18D36 (1)

Weight, g/mol:

498.217323

ΔHf, kcal/mol:

-583.56

Dipole, Da:

6.63

IP(EA), eV:

 -9.73(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate

Drug info:

PubChemData

Smile

C(CC(C(=O)O)N)CN=C(N)N.C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O

DOS

IR

Vibrations