Geometry & MOs

Info

ID:

116664

PubChem CID:

50570653

Reduced:

ClFN5O5C30H35 (1)

Stoich.:

ABC5D5E30F35 (1)

Weight, g/mol:

613.246725

ΔHf, kcal/mol:

-232.17

Dipole, Da:

11.36

IP(EA), eV:

 -8.92(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(4-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations