Geometry & MOs

Info

ID:

318599

PubChem CID:

126652195

Reduced:

FO3N5C30H32 (1)

Stoich.:

AB3C5D30E32 (1)

Weight, g/mol:

528.096264

ΔHf, kcal/mol:

-59.26

Dipole, Da:

9.14

IP(EA), eV:

 -8.76(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,4R,6R)-3-[(2R,5S)-6-formyloxy-5-[[(2R,4S)-6-formyloxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-2-yl]oxy]-3,4-dihydroxyoxan-2-yl]oxy-4,5,6-trihydroxyoxan-2-yl] formate

Drug info:

PubChemData

Smile

C1CC(C1)N2C3=C(C=C(C(=C3F)N4CCC(CC4)N5CCOCC5)CO)C(=O)C6=C2NC7=C6C=CC(=C7)C#N

DOS

IR

Vibrations