Geometry & MOs

Info

ID:

91287

PubChem CID:

49974868

Reduced:

F2N5O5C34H37 (1)

Stoich.:

A2B5C5D34E37 (1)

Weight, g/mol:

629.301348

ΔHf, kcal/mol:

-249.61

Dipole, Da:

11.89

IP(EA), eV:

 -9.06(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations