Geometry & MOs

Info

ID:

116981

PubChem CID:

50583454

Reduced:

ClF2O5N6C35H37 (1)

Stoich.:

AB2C5D6E35F37 (1)

Weight, g/mol:

621.308183

ΔHf, kcal/mol:

-259.65

Dipole, Da:

8.3

IP(EA), eV:

 -9.19(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(2-methylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=CC(=C5)F)F)Cl

DOS

IR

Vibrations