Geometry & MOs

Info

ID:

323492

PubChem CID:

126675029

Reduced:

SF2N3O5C31H31 (1)

Stoich.:

AB2C3D5E31F31 (1)

Weight, g/mol:

305.158685

ΔHf, kcal/mol:

-201.7

Dipole, Da:

7.03

IP(EA), eV:

 -8.6(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3R,6R)-4,6-diamino-3-[[(2S,4S)-3-amino-4-hydroxy-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]cyclohexane-1,2-diol

Drug info:

PubChemData

Smile

C1CC1(C#N)NC(=O)C2(CCC(CC2)(F)F)NC(=O)C3=CC4=C(O3)C=C(C=C4)C5=CC=C(C=C5)C6(CCS(=O)CC6)O

DOS

IR

Vibrations