Geometry & MOs

Info

ID:

118145

PubChem CID:

50630690

Reduced:

ClFN5O5H35C36 (1)

Stoich.:

ABC5D5E35F36 (1)

Weight, g/mol:

619.256147

ΔHf, kcal/mol:

-170.87

Dipole, Da:

11.42

IP(EA), eV:

 -8.48(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-methoxy-3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2=CC=CC=C2)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations