Geometry & MOs

Info

ID:

177168

PubChem CID:

76143227

Reduced:

N3O5C45H85 (1)

Stoich.:

A3B5C45D85 (1)

Weight, g/mol:

1158.9805

ΔHf, kcal/mol:

-365.14

Dipole, Da:

4.29

IP(EA), eV:

 -9.14(0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3,5-bis[(12-hydroxy-4,4,10,10-tetramethyl-3,5,7,9,11-pentaoxatricyclo[6.3.1.02,6]dodecane-6-carbonyl)amino]-2,4,6-triiodobenzoyl]amino]ethyl acetate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)OCC(CNC(CCCCN)C(=O)N)OC(=O)CCCCCCCC=CCCCCCCCC

DOS

IR

Vibrations