Geometry & MOs

Info

ID:

80399

PubChem CID:

49834296

Reduced:

FIN3O5C30H33 (1)

Stoich.:

ABC3D5E30F33 (1)

Weight, g/mol:

677.11535

ΔHf, kcal/mol:

-131.33

Dipole, Da:

24.01

IP(EA), eV:

 -7.96(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations