Geometry & MOs

Info

ID:

113255

PubChem CID:

50437260

Reduced:

FN6O6C39H47 (1)

Stoich.:

AB6C6D39E47 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-265.6

Dipole, Da:

8.43

IP(EA), eV:

 -9.05(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(cyclopentylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations