Geometry & MOs

Info

ID:

327388

PubChem CID:

126689769

Reduced:

N2H11C17 (2)

Stoich.:

A2B11C17 (2)

Weight, g/mol:

884.490574

ΔHf, kcal/mol:

206.09

Dipole, Da:

2.07

IP(EA), eV:

 -8.42(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,19-didodecyl-11,11,22,22-tetraethoxy-4,8,18-trithiaheptacyclo[13.10.0.02,12.03,10.05,9.016,23.017,21]pentacosa-1(15),2(12),3(10),5(9),6,13,16(23),17(21),19,24-decaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=CC=CC=N6)C7=CC=CC=C7

DOS

IR

Vibrations