Geometry & MOs

Info

ID:

446094

PubChem CID:

135272337

Reduced:

NO4C14H19 (3)

Stoich.:

AB4C14D19 (3)

Weight, g/mol:

525.281006

ΔHf, kcal/mol:

-518.59

Dipole, Da:

3.8

IP(EA), eV:

 -9.48(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8aS)-7-amino-2-[(4R)-5-amino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R)-4,6-diamino-2-fluoro-3-hydroxycyclohexyl]oxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-4-ol

Drug info:

PubChemData

Smile

CCC1C(CC(C(O1)OC2C3C(C4[C@@H](O2)CC(C(O4)OC5[C@@H](CC(CC5NC(=O)OCC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7)O)C)OC(=O)N3C)C)C

DOS

IR

Vibrations