Geometry & MOs

Info

ID:

298528

PubChem CID:

117650612

Reduced:

N3O5C11H21 (2)

Stoich.:

A3B5C11D21 (2)

Weight, g/mol:

552.311892

ΔHf, kcal/mol:

-428.47

Dipole, Da:

9.05

IP(EA), eV:

 -9.53(0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-N-[(2R,3S)-5-amino-4-[(2R,3S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2R,3S,5R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide

Drug info:

PubChemData

Smile

C1[C@H]2C1(O[C@@H]([C@H]2N)OC3[C@@H]([C@@H](C(CC3N)NC(=O)C(CCN)O)O[C@H]4[C@H](C([C@H](C(O4)CO)O)N)O)O)CN

DOS

IR

Vibrations