Geometry & MOs

Info

ID:

327366

PubChem CID:

126689694

Reduced:

ON2C9H18 (1)

Stoich.:

AB2C9D18 (1)

Weight, g/mol:

1535.16185

ΔHf, kcal/mol:

-39.58

Dipole, Da:

5.78

IP(EA), eV:

-8.85(0.58)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

15,15,29,29-tetraethoxy-9-hexoxy-25-trihexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61-hentriacontaynoxy-5,8,12,22,26-pentathianonacyclo[16.13.0.03,16.04,14.06,13.07,11.020,30.021,28.023,27]hentriaconta-1(31),2,4(14),6(13),7(11),9,16,18,20(30),21(28),23(27),24-dodecaene

Drug info:

PubChemData

Smile

CN(C)CCCC(=O)NCC=C

DOS

IR

Vibrations