Geometry & MOs

Info

ID:

222149

PubChem CID:

85294739

Reduced:

F2N2O14C53H70 (1)

Stoich.:

A2B2C14D53E70 (1)

Weight, g/mol:

991.761547

ΔHf, kcal/mol:

-543.14

Dipole, Da:

17.21

IP(EA), eV:

 -6.21(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

3-[[4-[3-[[1-(dihexadecylamino)-1-oxopropan-2-yl]carbamoyl]-2-hydroxynaphthalen-1-yl]-3-hydroxynaphthalene-2-carbonyl]amino]propyl-trimethylazanium

Drug info:

PubChemData

Smile

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CC(C(=O)OCCC[N+]4(CCC5=CC(=C(C=C5C4C6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C)(F)F

DOS

IR

Vibrations