Geometry & MOs

Info

ID:

108300

PubChem CID:

50240359

Reduced:

O4N5C35H41 (1)

Stoich.:

A4B5C35D41 (1)

Weight, g/mol:

609.256289

ΔHf, kcal/mol:

-130.65

Dipole, Da:

10.52

IP(EA), eV:

 -8.67(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-1-[1-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations