Geometry & MOs

Info

ID:

118062

PubChem CID:

50627539

Reduced:

ClFN5O5C33H37 (1)

Stoich.:

ABC5D5E33F37 (1)

Weight, g/mol:

652.196774

ΔHf, kcal/mol:

-213.74

Dipole, Da:

9.88

IP(EA), eV:

 -8.67(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-acetamido-4-chloroanilino)-3-oxopropyl]-1-[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4OC)F)Cl

DOS

IR

Vibrations