Geometry & MOs

Info

ID:

437236

PubChem CID:

135216606

Reduced:

FO2N4C28H33 (1)

Stoich.:

AB2C4D28E33 (1)

Weight, g/mol:

484.259817

ΔHf, kcal/mol:

-55.0

Dipole, Da:

5.85

IP(EA), eV:

 -8.85(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[(Z)-N'-[(E)-[amino-[2-(4-fluorophenyl)ethoxy]methylidene]amino]carbamimidoyl]-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1OCCC2=CC=C(C=C2)F)C3=CN=C(C(=C3N4CCC(CC4)(C)C)CC=O)C

DOS

IR

Vibrations