Geometry & MOs

Info

ID:

380854

PubChem CID:

134971428

Reduced:

BNSF3O4H8C10 (1)

Stoich.:

ABCD3E4F8G10 (1)

Weight, g/mol:

206.115424

ΔHf, kcal/mol:

-284.02

Dipole, Da:

1.03

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753167

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S,5R,7R)-3,4,7,8-tetrahydroxy-5-methyloctan-2-one

Drug info:

PubChemData

Smile

[B]1N([C@H](C(=O)O1)CC2=CC=CC=C2)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations