Geometry & MOs

Info

ID:

173369

PubChem CID:

75629484

Reduced:

F2N4O8C29H34 (1)

Stoich.:

A2B4C8D29E34 (1)

Weight, g/mol:

453.236267

ΔHf, kcal/mol:

-386.74

Dipole, Da:

7.94

IP(EA), eV:

 -9.84(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-(hydroxymethyl)-4,6,16,18-tetramethoxy-11-oxido-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-11-ene-8,9-diol

Drug info:

PubChemData

Smile

CCOC(=O)CCCN1C(=O)C2C(NC(C(N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)N(C1=O)C5C(C(C(O5)CO)O)O

DOS

IR

Vibrations