Geometry & MOs

Info

ID:

322044

PubChem CID:

126668392

Reduced:

O2N4C17H18 (1)

Stoich.:

A2B4C17D18 (1)

Weight, g/mol:

1004.415926

ΔHf, kcal/mol:

-31.15

Dipole, Da:

7.48

IP(EA), eV:

-8.31(-1.17)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S,3S,5S)-2-[(2R,3S,5R)-2-[(2S,3S,5R)-2-[(2R,4S,5S)-2-[(2R)-1,4-dihydroxy-3-[(1R,2S)-2-hydroxy-1-[(2S)-4-hydroxy-3-[(1R,2S)-1,2,3-trihydroxypropoxy]butan-2-yl]oxypropoxy]butan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-methyloxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CN=C3NC=CN3C2=O

DOS

IR

Vibrations