Geometry & MOs

Info

ID:

108785

PubChem CID:

50258934

Reduced:

ClFO5N6C38H42 (1)

Stoich.:

ABC5D6E38F42 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-210.73

Dipole, Da:

17.29

IP(EA), eV:

 -8.96(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(piperidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N6CCCC6)Cl

DOS

IR

Vibrations