Geometry & MOs

Info

ID:

215514

PubChem CID:

85084849

Reduced:

N4O11C58H58 (1)

Stoich.:

A4B11C58D58 (1)

Weight, g/mol:

986.487002

ΔHf, kcal/mol:

-197.05

Dipole, Da:

1.77

IP(EA), eV:

 -9.2(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N-butyl-2-N-[1,3,4,5-tetrakis(phenylmethoxy)-6-trityloxyhexan-2-yl]benzene-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C=CCOC1C(C(C(C(O1)COCC2=CC=CC=C2)OC3C(C(C(C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)N=[N+]=[N-])OCC7=CC=CC=C7)N8C(=O)C9=CC=CC=C9C8=O

DOS

IR

Vibrations