Geometry & MOs

Info

ID:

93829

PubChem CID:

49997061

Reduced:

FO4N5C37H44 (1)

Stoich.:

AB4C5D37E44 (1)

Weight, g/mol:

629.394105

ΔHf, kcal/mol:

-178.42

Dipole, Da:

9.28

IP(EA), eV:

 -9.02(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations