Geometry & MOs

Info

ID:

219192

PubChem CID:

85091423

Reduced:

ClN3O3F6H34C36 (1)

Stoich.:

AB3C3D6E34F36 (1)

Weight, g/mol:

706.253158

ΔHf, kcal/mol:

-338.66

Dipole, Da:

4.31

IP(EA), eV:

 -9.19(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-2,5-dihydroxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(=O)N1CC2CC(=C(C(C1)N2)C(=O)N(CC3=C(C(=CC=C3)C(F)(F)F)Cl)C4CC4)C5=CC=C(C=C5)CCCOC6=C(C=CC(=C6F)F)F

DOS

IR

Vibrations