Geometry & MOs

Info

ID:

106744

PubChem CID:

50174817

Reduced:

ClN5O5C33H42 (1)

Stoich.:

AB5C5D33E42 (1)

Weight, g/mol:

629.394105

ΔHf, kcal/mol:

-203.88

Dipole, Da:

5.25

IP(EA), eV:

 -8.96(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-methyl-6-(3-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N5CCOCC5)C)Cl

DOS

IR

Vibrations