Geometry & MOs

Info

ID:

94791

PubChem CID:

50003961

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

500.259897

ΔHf, kcal/mol:

-185.76

Dipole, Da:

1.39

IP(EA), eV:

 -9.02(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-(2,4-difluorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)C

DOS

IR

Vibrations