Geometry & MOs

Info

ID:

401005

PubChem CID:

135049745

Reduced:

ClNO2H14C17 (1)

Stoich.:

ABC2D14E17 (1)

Weight, g/mol:

936.502378

ΔHf, kcal/mol:

-6.14

Dipole, Da:

5.94

IP(EA), eV:

-9.09(-1.12)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(25R,29R,33R,37S)-25,29,33,37-tetrahexyl-2,3,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(38),5,7(34),11,13(30),17,19(26),23(39),24(40),27,31,35-dodecaene-6,12,18,39-tetrol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C(C#N)C(=O)C2=CC=CC=C2)Cl

DOS

IR

Vibrations