Geometry & MOs

Info

ID:

446671

PubChem CID:

135276826

Reduced:

OSN4C28H34 (1)

Stoich.:

ABC4D28E34 (1)

Weight, g/mol:

626.312286

ΔHf, kcal/mol:

19.75

Dipole, Da:

5.25

IP(EA), eV:

 -8.46(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[6-[[(8aS)-7-amino-6-(4,6-diamino-2,3-dihydroxycyclohexyl)oxy-4-hydroxy-3-(methylamino)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-2-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]-2-amino-3-hydroxypropanamide

Drug info:

PubChemData

Smile

CC1CC2CC(C1)CC(C2)(C)C3=CC=C(C=C3)NC(=O)CSC4=NN=C(N4C)C5=CC=CC=C5

DOS

IR

Vibrations