Geometry & MOs

Info

ID:

80441

PubChem CID:

49834466

Reduced:

IF2N3O4C30H34 (1)

Stoich.:

AB2C3D4E30F34 (1)

Weight, g/mol:

643.1907

ΔHf, kcal/mol:

-129.01

Dipole, Da:

17.21

IP(EA), eV:

 -8.31(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-[4-[(1,1-dimethylpiperidin-1-ium-4-yl)oxycarbonylamino]-3-phenylphenyl]propanoylamino]-3-methylphenyl]methanolate;hydroiodide

Drug info:

PubChemData

Smile

C[N+]1(CCC(CC1)OC(=O)NC2=C(C=C(C=C2)CCC(=O)NC3=C(C=C(C(=C3)F)C[O-])F)C4=CC=CC=C4)C.I

DOS

IR

Vibrations