Geometry & MOs

Info

ID:

112530

PubChem CID:

50410539

Reduced:

FO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

591.265711

ΔHf, kcal/mol:

-175.2

Dipole, Da:

5.0

IP(EA), eV:

 -8.97(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC

DOS

IR

Vibrations