Geometry & MOs

Info

ID:

117896

PubChem CID:

50619752

Reduced:

ClFO5N6H36C37 (1)

Stoich.:

ABC5D6E36F37 (1)

Weight, g/mol:

659.251062

ΔHf, kcal/mol:

-186.75

Dipole, Da:

5.42

IP(EA), eV:

 -8.85(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)F)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations