Geometry & MOs

Info

ID:

99094

PubChem CID:

50048347

Reduced:

FO4N5C37H44 (1)

Stoich.:

AB4C5D37E44 (1)

Weight, g/mol:

653.281361

ΔHf, kcal/mol:

-197.36

Dipole, Da:

9.5

IP(EA), eV:

 -8.61(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(2-methylbenzoyl)amino]phenyl]-1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5CCCCC5

DOS

IR

Vibrations