Geometry & MOs

Info

ID:

219155

PubChem CID:

85091098

Reduced:

NO11C33H51 (1)

Stoich.:

AB11C33D51 (1)

Weight, g/mol:

637.2743

ΔHf, kcal/mol:

-484.09

Dipole, Da:

5.81

IP(EA), eV:

 -10.04(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[[2-bromoethoxy(hydroxy)phosphoryl]oxymethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methyl N-octadecylcarbamate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C(C)[N+](=O)[O-])O)C)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations