Geometry & MOs

Info

ID:

214716

PubChem CID:

85083462

Reduced:

NO7C34H49 (1)

Stoich.:

AB7C34D49 (1)

Weight, g/mol:

584.31812

ΔHf, kcal/mol:

-281.9

Dipole, Da:

8.86

IP(EA), eV:

 -10.08(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-N-[5-amino-4-[5-amino-6-(aminomethyl)-3-hydroxyoxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-fluorocyclohexyl]-2-hydroxy-N-methylbutanamide

Drug info:

PubChemData

Smile

CC(CCC(=O)OC)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)OC(=O)CCC5=CC=C(C=C5)[N+](=O)[O-])C)O)C

DOS

IR

Vibrations