Geometry & MOs

Info

ID:

215523

PubChem CID:

85084862

Reduced:

NO13C57H91 (1)

Stoich.:

AB13C57D91 (1)

Weight, g/mol:

998.353677

ΔHf, kcal/mol:

-677.5

Dipole, Da:

5.08

IP(EA), eV:

 -10.14(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[11-[[3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl]oxyamino]undecanoylamino]-5-[2,6-bis(trifluoromethyl)benzoyl]oxy-4-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCC)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C

DOS

IR

Vibrations