Geometry & MOs

Info

ID:

107548

PubChem CID:

50208325

Reduced:

FN5O5C39H42 (1)

Stoich.:

AB5C5D39E42 (1)

Weight, g/mol:

692.312247

ΔHf, kcal/mol:

-184.34

Dipole, Da:

5.1

IP(EA), eV:

 -8.22(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NCC5=CC=C(C=C5)F)C)OC

DOS

IR

Vibrations