Geometry & MOs

Info

ID:	111122
PubChem CID:	50352961
Reduced:	SO4N6C25H34 (1)
Stoich.:	AB4C6D25E34 (1)
Weight, g/mol:	464.278741
ΔH_f, kcal/mol:	-142.64
Dipole, Da:	5.42
IP(EA), eV:	-8.92(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-(2-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=NC=CS3)C

DOS

IR

Vibrations