Geometry & MOs

Info

ID:

109373

PubChem CID:

50281966

Reduced:

F3O5N6H35C37 (1)

Stoich.:

A3B5C6D35E37 (1)

Weight, g/mol:

653.281361

ΔHf, kcal/mol:

-262.22

Dipole, Da:

12.64

IP(EA), eV:

 -8.77(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]-1-[2-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations