Geometry & MOs

Info

ID:

120598

PubChem CID:

50736281

Reduced:

O4N5C32H43 (1)

Stoich.:

A4B5C32D43 (1)

Weight, g/mol:

688.318475

ΔHf, kcal/mol:

-176.6

Dipole, Da:

9.17

IP(EA), eV:

 -8.86(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2,6-difluorophenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[2-[2-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC=C4C(=O)NC(C)C

DOS

IR

Vibrations