Geometry & MOs

Info

ID:

112892

PubChem CID:

50424587

Reduced:

FO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

656.312247

ΔHf, kcal/mol:

-216.15

Dipole, Da:

9.42

IP(EA), eV:

 -8.94(-0.36)

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-[2-(pyrrolidine-1-carbonyl)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)N4CCCCC4)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations