Geometry & MOs

Info

ID:

112347

PubChem CID:

50403503

Reduced:

FN6O6C40H49 (1)

Stoich.:

AB6C6D40E49 (1)

Weight, g/mol:

657.256289

ΔHf, kcal/mol:

-266.25

Dipole, Da:

8.24

IP(EA), eV:

 -8.83(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[5-[(4-fluorophenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)OC)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations