Geometry & MOs

Info

ID:

91254

PubChem CID:

49974571

Reduced:

FN5O5C33H36 (1)

Stoich.:

AB5C5D33E36 (1)

Weight, g/mol:

623.287447

ΔHf, kcal/mol:

-200.3

Dipole, Da:

9.38

IP(EA), eV:

 -8.99(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(3-methylpiperidine-1-carbonyl)phenyl]-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=CC=CC=C4C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations