Geometry & MOs

Info

ID:

90154

PubChem CID:

49966816

Reduced:

F2O4N5C35H39 (1)

Stoich.:

A2B4C5D35E39 (1)

Weight, g/mol:

643.316998

ΔHf, kcal/mol:

-215.81

Dipole, Da:

4.64

IP(EA), eV:

 -9.03(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(3-methoxybenzoyl)amino]phenyl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=C(C=C5)F)F

DOS

IR

Vibrations