Geometry & MOs

Info

ID:

108139

PubChem CID:

50231661

Reduced:

FN6O6C42H51 (1)

Stoich.:

AB6C6D42E51 (1)

Weight, g/mol:

736.295152

ΔHf, kcal/mol:

-267.08

Dipole, Da:

11.8

IP(EA), eV:

 -8.69(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-chloro-2-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[1-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6CCCCC6)OC

DOS

IR

Vibrations