Geometry & MOs

Info

ID:

98070

PubChem CID:

50039025

Reduced:

F3O3N4C29H29 (1)

Stoich.:

A3B3C4D29E29 (1)

Weight, g/mol:

627.322083

ΔHf, kcal/mol:

-210.49

Dipole, Da:

11.06

IP(EA), eV:

 -8.87(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations