Geometry & MOs

Info

ID:	350526
PubChem CID:	127277888
Reduced:	S2N4O4C15H20 (1)
Stoich.:	A2B4C4D15E20 (1)
Weight, g/mol:	323.220892
ΔH_f, kcal/mol:	-90.58
Dipole, Da:	2.7
IP(EA), eV:	-8.73(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxypiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCCC(C3)OC

DOS

IR

Vibrations