Geometry & MOs

Info

ID:

98300

PubChem CID:

50042506

Reduced:

FN6O6C41H43 (1)

Stoich.:

AB6C6D41E43 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-211.24

Dipole, Da:

7.28

IP(EA), eV:

 -8.63(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamido-4-methylanilino)-1-oxopropan-2-yl]-1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]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)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)C6=CC=C(C=C6)OC

DOS

IR

Vibrations