Geometry & MOs

Info

ID:	296946
PubChem CID:	117602042
Reduced:	NO8C20H29 (1)
Stoich.:	AB8C20D29 (1)
Weight, g/mol:	549.115891
ΔH_f, kcal/mol:	-331.28
Dipole, Da:	3.28
IP(EA), eV:	-9.03(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-N-(6-methoxypyridin-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCOC(=O)CC(=O)C.CC(=O)OC=C.C=CN1CCCC1=O

DOS

IR

Vibrations