Geometry & MOs

Info

ID:

117076

PubChem CID:

50588135

Reduced:

ClF2N6O6C35H37 (1)

Stoich.:

AB2C6D6E35F37 (1)

Weight, g/mol:

734.275024

ΔHf, kcal/mol:

-295.15

Dipole, Da:

6.08

IP(EA), eV:

 -9.05(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[4-chloro-2-(phenylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2F)F)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations