Geometry & MOs

Info

ID:

159652

PubChem CID:

57288586

Reduced:

N3C19H21 (1)

Stoich.:

A3B19C21 (1)

Weight, g/mol:

504.169035

ΔHf, kcal/mol:

48.34

Dipole, Da:

1.91

IP(EA), eV:

-8.06(-0.04)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(3S,4R,5S)-3,4,5,6-tetrahydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexan-2-one

Drug info:

PubChemData

Smile

C1CNCCC12CN3C4=CC=CC=C4NCC5=C3C2=CC=C5

DOS

IR

Vibrations