Geometry & MOs

Info

ID:

219894

PubChem CID:

85165017

Reduced:

FeOSSnC29H42 (1)

Stoich.:

ABCDE29F42 (1)

Weight, g/mol:

613.233032

ΔHf, kcal/mol:

169.39

Dipole, Da:

4.04

IP(EA), eV:

 -7.29(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-acetamido-2-[3-acetamido-2-(1-amino-1-carboxypropan-2-yl)oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC[Sn+](CCCC)CCCC.CC1=CC=C(C=C1)S(=O)[C]2[CH][CH][CH][C-]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

DOS

IR

Vibrations