Geometry & MOs

Info

ID:

109261

PubChem CID:

50278805

Reduced:

F3O4N5C38H38 (1)

Stoich.:

A3B4C5D38E38 (1)

Weight, g/mol:

685.287589

ΔHf, kcal/mol:

-238.07

Dipole, Da:

8.14

IP(EA), eV:

 -8.71(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC(=C5)F)F)C)F

DOS

IR

Vibrations