Geometry & MOs

Info

ID:

116631

PubChem CID:

50569439

Reduced:

ClFN5O6C34H37 (1)

Stoich.:

ABC5D6E34F37 (1)

Weight, g/mol:

613.266712

ΔHf, kcal/mol:

-231.0

Dipole, Da:

7.66

IP(EA), eV:

 -8.99(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(morpholine-4-carbonyl)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)N2CCOCC2)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)F)OC

DOS

IR

Vibrations