Geometry & MOs

Info

ID:	64800
PubChem CID:	29204014
Reduced:	ClSN2O4C21H25 (1)
Stoich.:	ABC2D4E21F25 (1)
Weight, g/mol:	472.203193
ΔH_f, kcal/mol:	-102.81
Dipole, Da:	7.47
IP(EA), eV:	-9.5(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(4-benzylpiperidin-1-yl)-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CN(OC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CCC(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations