Geometry & MOs

Info

ID:

383436

PubChem CID:

134975163

Reduced:

NF3O11C19H26 (1)

Stoich.:

AB3C11D19E26 (1)

Weight, g/mol:

614.272712

ΔHf, kcal/mol:

-647.75

Dipole, Da:

8.09

IP(EA), eV:

 -10.19(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,5R)-2-[[(3aR,5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-3,5-bis(phenylmethoxy)oxan-4-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)OCCCNC(=O)C(F)(F)F)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations