Geometry & MOs

Info

ID:

438136

PubChem CID:

135227760

Reduced:

N2H12C19 (3)

Stoich.:

A2B12C19 (3)

Weight, g/mol:

518.2967

ΔHf, kcal/mol:

312.86

Dipole, Da:

2.34

IP(EA), eV:

 -7.89(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-propan-2-yl-8-[5-[4-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,5-dien-1-yl]hexan-2-yl]quinoxaline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)N4C5=CC=CC=C5C6=C7C(=C8C(=C64)C9=CC=CC=C9N8C1=CC=CC=C1)C1=CC=CC=C1N7C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations