Geometry & MOs

Info

ID:	358646
PubChem CID:	127296425
Reduced:	SO2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	384.11775
ΔH_f, kcal/mol:	-14.71
Dipole, Da:	4.11
IP(EA), eV:	-8.68(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CS(=O)CCN1C(=O)C2=CNC3=C2C=CC=N3

DOS

IR

Vibrations