Geometry & MOs

Info

ID:

108527

PubChem CID:

50248555

Reduced:

F3O5N6C39H39 (1)

Stoich.:

A3B5C6D39E39 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-281.05

Dipole, Da:

9.9

IP(EA), eV:

 -8.81(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[1-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=C(C=C5)F)C

DOS

IR

Vibrations