Geometry & MOs

Info

ID:

108645

PubChem CID:

50252822

Reduced:

F2O4N5H33C35 (1)

Stoich.:

A2B4C5D33E35 (1)

Weight, g/mol:

688.318475

ΔHf, kcal/mol:

-177.28

Dipole, Da:

5.95

IP(EA), eV:

 -8.7(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-oxo-3-[3-(piperidine-1-carbonyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations