Geometry & MOs

Info

ID:

324083

PubChem CID:

126676895

Reduced:

ON7C16H21 (1)

Stoich.:

AB7C16D21 (1)

Weight, g/mol:

554.279923

ΔHf, kcal/mol:

61.6

Dipole, Da:

1.94

IP(EA), eV:

 -8.18(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N=C/C(=C\N)/CC2=CC(=NC(=C2N)NN)N

DOS

IR

Vibrations