Geometry & MOs

Info

ID:

45228

PubChem CID:

10509717

Reduced:

SiF3N4O8C43H51 (1)

Stoich.:

AB3C4D8E43F51 (1)

Weight, g/mol:

840.354334

ΔHf, kcal/mol:

-486.17

Dipole, Da:

5.62

IP(EA), eV:

 -8.85(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(25S,29R,33S,37R)-12,39-bis(hydroxymethyl)-25,29,33,37-tetrapropyl-18-(sulfanylmethyl)-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaen-6-yl]methanol

Drug info:

PubChemData

Smile

CC(C)C(C(C(F)(F)F)O[Si](C)(C)C(C)(C)C)NC(=O)CN1C(=CC(=C(C1=O)NC(=O)OCC2=CC=CC=C2)C(=O)NCC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations