Geometry & MOs

Info

ID:

219284

PubChem CID:

85098457

Reduced:

F3O7C40H53 (1)

Stoich.:

A3B7C40D53 (1)

Weight, g/mol:

702.326011

ΔHf, kcal/mol:

-361.78

Dipole, Da:

2.41

IP(EA), eV:

 -9.36(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,5,9-trimethyl-10-[[4-[(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl)sulfanylmethyl]phenyl]methylsulfanyl]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

Drug info:

PubChemData

Smile

CC=C(C)C1C(C2CC3C(O3)(CC2C4C1(O4)C)C)C=CC=C(C)C(C(C)COC(=O)C(C)(C)C)OC(=O)C(C5=CC=CC=C5)(C(F)(F)F)OC

DOS

IR

Vibrations