Geometry & MOs

Info

ID:	158840
PubChem CID:	56479546
Reduced:	S2N3O6C22H33 (1)
Stoich.:	A2B3C6D22E33 (1)
Weight, g/mol:	458.172083
ΔH_f, kcal/mol:	-242.8
Dipole, Da:	10.36
IP(EA), eV:	-8.62(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-methoxybenzoyl)-N-methyl-N-[2-[(4-methylpyridin-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3CS(=O)(=O)CC3N4CCCCC4

DOS

IR

Vibrations