Geometry & MOs

Info

ID:

224204

PubChem CID:

85340090

Reduced:

S5N17O27C69H119 (1)

Stoich.:

A5B17C27D69E119 (1)

Weight, g/mol:

1996.713004

ΔHf, kcal/mol:

-1289.73

Dipole, Da:

20.75

IP(EA), eV:

 -8.34(-2.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dodecasodium;2-[6-[2-carboxylato-6-[6-[2-carboxylato-4-hydroxy-5-sulfonatooxy-6-[2,4,6-trihydroxy-5-(sulfonatoamino)-1-sulfonatooxyhexan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxy-5-sulfonatooxyoxan-3-yl]oxy-4-hydroxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4-hydroxy-3-sulfonatooxy-3,4-dihydro-2H-pyran-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CS)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(CS)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)NC(=O)C(CS)N

DOS

IR

Vibrations