Geometry & MOs

Info

ID:	157224
PubChem CID:	56422418
Reduced:	N2S2O3C16H18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	438.182458
ΔH_f, kcal/mol:	-57.55
Dipole, Da:	4.16
IP(EA), eV:	-9.1(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2OCCO2)C(=O)C3=CSC(=N3)C4=CSC=C4

DOS

IR

Vibrations