Geometry & MOs

Info

ID:

80397

PubChem CID:

49834290

Reduced:

NO2C4H8 (6)

Stoich.:

AB2C4D8 (6)

Weight, g/mol:

664.309092

ΔHf, kcal/mol:

-520.42

Dipole, Da:

9.44

IP(EA), eV:

 -9.26(0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-3,3-difluoro-2-hydroxybutanamide

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(CO)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)NC4CNC4)N

DOS

IR

Vibrations