Geometry & MOs

Info

ID:

108093

PubChem CID:

50229756

Reduced:

F2O4N5C38H39 (1)

Stoich.:

A2B4C5D38E39 (1)

Weight, g/mol:

651.285698

ΔHf, kcal/mol:

-194.39

Dipole, Da:

14.47

IP(EA), eV:

 -8.85(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-[(3-methoxybenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=C(C=C5)F)C

DOS

IR

Vibrations