Geometry & MOs

Info

ID:

111958

PubChem CID:

50388768

Reduced:

FO5N6C43H53 (1)

Stoich.:

AB5C6D43E53 (1)

Weight, g/mol:

629.394105

ΔHf, kcal/mol:

-245.55

Dipole, Da:

11.43

IP(EA), eV:

 -8.82(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)C(=O)NCC6=CC=C(C=C6)F)C)C

DOS

IR

Vibrations