Geometry & MOs

Info

ID:

219777

PubChem CID:

85164886

Reduced:

F4N4O4H28C31 (1)

Stoich.:

A4B4C4D28E31 (1)

Weight, g/mol:

596.207774

ΔHf, kcal/mol:

-276.65

Dipole, Da:

1.95

IP(EA), eV:

 -8.91(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[8-benzoyloxy-2-(furan-2-yl)-4a-hydroxy-7-(2-trimethylsilylethoxy)-5,7,8,8a-tetrahydro-4H-pyrano[4,3-d][1,3]dioxin-5-yl]methyl benzoate

Drug info:

PubChemData

Smile

CCC1C2CN(CC23C(=O)N(C(=O)N3C1C4=CC=C(C=C4)OC(F)(F)F)CC5=CC=CC=C5F)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations