Geometry & MOs

Info

ID:

91675

PubChem CID:

49978218

Reduced:

FN6O7C37H43 (1)

Stoich.:

AB6C7D37E43 (1)

Weight, g/mol:

674.379183

ΔHf, kcal/mol:

-284.42

Dipole, Da:

9.72

IP(EA), eV:

 -8.88(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-methyl-6-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=CC=C5)F)OC

DOS

IR

Vibrations