Geometry & MOs

Info

ID:

100017

PubChem CID:

50057414

Reduced:

F2O3N4C28H28 (1)

Stoich.:

A2B3C4D28E28 (1)

Weight, g/mol:

730.248202

ΔHf, kcal/mol:

-156.03

Dipole, Da:

4.05

IP(EA), eV:

 -8.86(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations