Geometry & MOs

Info

ID:

95976

PubChem CID:

50017735

Reduced:

FN6O7C40H47 (1)

Stoich.:

AB6C7D40E47 (1)

Weight, g/mol:

621.251811

ΔHf, kcal/mol:

-282.55

Dipole, Da:

16.48

IP(EA), eV:

 -8.75(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(propanoylamino)phenyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N6CCOCC6)OC

DOS

IR

Vibrations