Geometry & MOs

Info

ID:

394362

PubChem CID:

135022840

Reduced:

SO9C55H60 (1)

Stoich.:

AB9C55D60 (1)

Weight, g/mol:

405.136334

ΔHf, kcal/mol:

-224.01

Dipole, Da:

4.7

IP(EA), eV:

 -8.55(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7R,9S)-13,13-dimethyl-9-(2,3,4,5,6-pentafluoroanilino)-11,12-dioxadispiro[4.1.47.25]tridecan-10-one

Drug info:

PubChemData

Smile

COC1C(C([C@@H](C(O1)CS[C@H]2C[C@H]([C@@H](C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8

DOS

IR

Vibrations