Geometry & MOs

Info

ID:

381969

PubChem CID:

134972857

Reduced:

NOC22H35 (1)

Stoich.:

ABC22D35 (1)

Weight, g/mol:

782.129778

ΔHf, kcal/mol:

-79.77

Dipole, Da:

4.04

IP(EA), eV:

-9.5(-0.13)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

16,17,26,27-tetrapropyl-9,14,19,24,29,34-hexathiaundecacyclo[21.17.0.02,20.03,18.04,15.05,13.06,10.025,40.028,39.030,38.033,37]tetraconta-1(23),2(20),3(18),4(15),5(13),6(10),7,11,16,21,25(40),26,28(39),30(38),31,33(37),35-heptadecaene

Drug info:

PubChemData

Smile

CCCCC(CCCC)(C1CCCCC1)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations