Geometry & MOs

Info

ID:

312770

PubChem CID:

126608449

Reduced:

ON8C17H38 (1)

Stoich.:

AB8C17D38 (1)

Weight, g/mol:

1096.323115

ΔHf, kcal/mol:

-23.51

Dipole, Da:

2.21

IP(EA), eV:

-8.69(0.7)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

4-[14,23-di(dibenzothiophen-4-yl)-9,9,18,18-tetramethyl-27,27-diphenyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]dibenzothiophene

Drug info:

PubChemData

Smile

CC(=O)CNC12CNCCNCC(CNCCNC1)(CNCCNC2)N

DOS

IR

Vibrations