Geometry & MOs

Info

ID:

403203

PubChem CID:

135059150

Reduced:

NPSC23H28 (1)

Stoich.:

ABCD23E28 (1)

Weight, g/mol:

649.196647

ΔHf, kcal/mol:

30.86

Dipole, Da:

1.19

IP(EA), eV:

 -8.7(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4R,5R)-2-[[(3R,6S)-5-acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C2C3CCCC=C3[C@H]([P@@]2C4=CC=CS4)C5=CC=CC=N5

DOS

IR

Vibrations