Geometry & MOs

Info

ID:

398575

PubChem CID:

135033993

Reduced:

NO4C17H19 (1)

Stoich.:

AB4C17D19 (1)

Weight, g/mol:

758.181019

ΔHf, kcal/mol:

-141.45

Dipole, Da:

2.44

IP(EA), eV:

 -9.29(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,20-bis(3-methoxythiophen-2-yl)-3,7,18,22-tetrazaundecacyclo[22.6.6.69,16.02,23.04,21.06,19.08,17.010,15.025,30.031,36.037,42]dotetraconta-2,4,6(19),7,10,12,14,17,20,22,25,27,29,31,33,35,37,39,41-nonadecaene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=CC=C1C2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations