Geometry & MOs

Info

ID:

111296

PubChem CID:

50361543

Reduced:

FO4N5C35H48 (1)

Stoich.:

AB4C5D35E48 (1)

Weight, g/mol:

625.343961

ΔHf, kcal/mol:

-228.79

Dipole, Da:

3.54

IP(EA), eV:

 -8.72(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)C)F)C

DOS

IR

Vibrations