Geometry & MOs

Info

ID:	133568
PubChem CID:	51553960
Reduced:	SCl2N2O4C20H22 (1)
Stoich.:	AB2C2D4E20F22 (1)
Weight, g/mol:	380.176979
ΔH_f, kcal/mol:	-145.28
Dipole, Da:	3.2
IP(EA), eV:	-9.11(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=C(C=CC(=C3)Cl)C)Cl

DOS

IR

Vibrations