Geometry & MOs

Info

ID:

120158

PubChem CID:

50716108

Reduced:

ClF2O4N5C33H40 (1)

Stoich.:

AB2C4D5E33F40 (1)

Weight, g/mol:

661.264267

ΔHf, kcal/mol:

-258.61

Dipole, Da:

5.27

IP(EA), eV:

 -9.04(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2CCCCC2)Cl)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations