Geometry & MOs

Info

ID:

187998

PubChem CID:

77652256

Reduced:

N2O5C18H22 (1)

Stoich.:

A2B5C18D22 (1)

Weight, g/mol:

873.486113

ΔHf, kcal/mol:

-173.07

Dipole, Da:

0.45

IP(EA), eV:

 -8.52(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-[1,3-bis(cyclohexylmethyl)-2,6-dioxopurin-3-ium-8-yl]benzoate

Drug info:

PubChemData

Smile

COCCOCC(C(=O)OC)NC(=O)C1=CC2=CC=CC=C2C=C1N

DOS

IR

Vibrations