Geometry & MOs

Info

ID:

117534

PubChem CID:

50606474

Reduced:

ClFN5O5H35C36 (1)

Stoich.:

ABC5D5E35F36 (1)

Weight, g/mol:

607.23616

ΔHf, kcal/mol:

-177.42

Dipole, Da:

7.17

IP(EA), eV:

 -8.69(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[4-fluoro-3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5OC)Cl

DOS

IR

Vibrations