Geometry & MOs

Info

ID:

396550

PubChem CID:

135028728

Reduced:

NO2C10H14 (2)

Stoich.:

AB2C10D14 (2)

Weight, g/mol:

1512.182354

ΔHf, kcal/mol:

-161.06

Dipole, Da:

2.89

IP(EA), eV:

 -9.22(0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[42,43,44,45,46,47,48-heptakis(trimethylsilyl)-2,5,7,9,12,15,17,19,22,25,27,29,32,35,37,39-hexadecathiatridecacyclo[36.2.1.13,6.18,11.113,16.118,21.123,26.128,31.133,36.04,40.010,14.020,24.030,34]octatetracontan-41-yl]-trimethylsilane

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2(C1)CN(CC2C(=O)OC)CC3=CC=CC=C3

DOS

IR

Vibrations