Geometry & MOs

Info

ID:

215368

PubChem CID:

85084628

Reduced:

ClSN4O12C39H67 (1)

Stoich.:

ABC4D12E39F67 (1)

Weight, g/mol:

852.311067

ΔHf, kcal/mol:

-580.41

Dipole, Da:

2.88

IP(EA), eV:

 -8.81(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[4-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)O)C)OC2C(C(CC(O2)C)N(C)C)O)(C)O)C)CCCNC(=O)NS(=O)(=O)C3=CC=CC=C3Cl)C)O)(C)O

DOS

IR

Vibrations