Geometry & MOs

Info

ID:

317866

PubChem CID:

126646616

Reduced:

SN2F3O3C24H31 (1)

Stoich.:

AB2C3D3E24F31 (1)

Weight, g/mol:

1450.162247

ΔHf, kcal/mol:

-255.19

Dipole, Da:

6.85

IP(EA), eV:

-9.16(-0.46)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30E)-5,32-bis(2-hydroxypropan-2-yl)-2,8,12,16,21,25,29,35-octamethylhexatriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaene-2,35-diol;(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30E)-2,8,12,16,21,25,29,35-octamethyl-5,32-di(propan-2-yl)hexatriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaene-2,35-diol

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)OCCCN(CC2=CC=CC=C2)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations