Geometry & MOs

Info

ID:

379305

PubChem CID:

134357616

Reduced:

NSO7C21H31 (1)

Stoich.:

ABC7D21E31 (1)

Weight, g/mol:

570.311223

ΔHf, kcal/mol:

-305.07

Dipole, Da:

2.94

IP(EA), eV:

 -9.34(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H](COS1(=O)=O)COC2CCC(CC2)OCC3=CC=CC=C3

DOS

IR

Vibrations