Geometry & MOs

Info

ID:

112903

PubChem CID:

50424933

Reduced:

F3O5N6H37C38 (1)

Stoich.:

A3B5C6D37E38 (1)

Weight, g/mol:

678.296597

ΔHf, kcal/mol:

-268.52

Dipole, Da:

7.37

IP(EA), eV:

 -8.86(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-oxo-2-[3-(phenylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations