Geometry & MOs

Info

ID:

380444

PubChem CID:

134970895

Reduced:

BrO4C17H23 (1)

Stoich.:

AB4C17D23 (1)

Weight, g/mol:

1411.638985

ΔHf, kcal/mol:

-180.41

Dipole, Da:

4.26

IP(EA), eV:

 -9.4(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 3

Chem-info

IUPAC name:

2-[2-[2-[5-[2-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]ethoxy]naphthalen-1-yl]oxyethoxy]ethoxy]ethyl 2-[(1E,6Z,11E,18E,23E,28E)-32-[2-[2-(2-ethoxyethoxy)ethoxy]-2-oxoethyl]-14,16,31,33-tetraoxo-15,27,32-triaza-3,10,20-triazonianonacyclo[27.5.2.23,6.27,10.212,18.220,23.224,27.013,17.030,34]hexatetraconta-1,4,6,8,11,18,21,23,25,28,35,41-dodecaen-15-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C1=CC=C(C=C1)Br)O[C@@H]2CCC[C@@H](O2)C

DOS

IR

Vibrations