Geometry & MOs

Info

ID:	370501
PubChem CID:	127339121
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	392.176979
ΔH_f, kcal/mol:	-21.62
Dipole, Da:	6.75
IP(EA), eV:	-8.89(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]propanamide

Drug info:

PubChemData

Smile

CC(C1=CSC=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=N3

DOS

IR

Vibrations