Geometry & MOs

Info

ID:

116663

PubChem CID:

50570652

Reduced:

ClF3N5O6C31H35 (1)

Stoich.:

AB3C5D6E31F35 (1)

Weight, g/mol:

599.231075

ΔHf, kcal/mol:

-388.96

Dipole, Da:

8.41

IP(EA), eV:

 -9.04(-0.61)

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-(3-fluorophenyl)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=C5OC(F)(F)F

DOS

IR

Vibrations