Geometry & MOs

Info

ID:

145228

PubChem CID:

53482769

Reduced:

N5O6F7C28H30 (1)

Stoich.:

A5B6C7D28E30 (1)

Weight, g/mol:

437.222703

ΔHf, kcal/mol:

-522.97

Dipole, Da:

4.07

IP(EA), eV:

 -8.98(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl] (2R)-1-(3-carbamimidoylphenyl)piperidine-2-carboxylate

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C(=O)OC2=C(C=C(C=C2)C(=N)N3CCCC3)F)C4=CC=CC(=C4)C(=N)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations