Geometry & MOs

Info

ID:

95955

PubChem CID:

50017296

Reduced:

FN6O6C43H49 (1)

Stoich.:

AB6C6D43E49 (1)

Weight, g/mol:

671.348298

ΔHf, kcal/mol:

-235.09

Dipole, Da:

9.24

IP(EA), eV:

 -8.09(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-methoxy-5-(3-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5)OC

DOS

IR

Vibrations