Geometry & MOs

Info

ID:

113430

PubChem CID:

50445262

Reduced:

F2N5O5C35H39 (1)

Stoich.:

A2B5C5D35E39 (1)

Weight, g/mol:

645.312661

ΔHf, kcal/mol:

-248.43

Dipole, Da:

8.46

IP(EA), eV:

 -9.16(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(cyclopentylcarbamoyl)-6-methylphenyl]-1-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCOCC2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations