Geometry & MOs

Info

ID:

214727

PubChem CID:

85083490

Reduced:

O4C17H25 (2)

Stoich.:

A4B17C25 (2)

Weight, g/mol:

586.297762

ΔHf, kcal/mol:

-372.98

Dipole, Da:

4.13

IP(EA), eV:

 -9.33(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaen-22-yl)propyl methanesulfonate

Drug info:

PubChemData

Smile

CCC1=C(C(=O)C(=C(O1)C(C)C(C(C)C(C(=CC(C)C2=C(C(=O)C(=C(O2)C(C)C(CC)O)C)C)C)O)OC(=O)C)C)C

DOS

IR

Vibrations