Geometry & MOs

Info

ID:	352457
PubChem CID:	127283545
Reduced:	NO2S2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	398.1334
ΔH_f, kcal/mol:	-50.47
Dipole, Da:	5.16
IP(EA), eV:	-8.54(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-oxo-1,4-thiazinan-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N2CCS(=O)CC2

DOS

IR

Vibrations