Geometry & MOs

Info

ID:

116840

PubChem CID:

50577572

Reduced:

ClFN6O7C37H42 (1)

Stoich.:

ABC6D7E37F42 (1)

Weight, g/mol:

641.25356

ΔHf, kcal/mol:

-283.97

Dipole, Da:

5.03

IP(EA), eV:

 -8.27(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCOCC2)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5F)OC

DOS

IR

Vibrations