Geometry & MOs

Info

ID:	352443
PubChem CID:	127283531
Reduced:	NO2S2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	376.058521
ΔH_f, kcal/mol:	-58.15
Dipole, Da:	4.83
IP(EA), eV:	-8.58(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-oxo-1,4-thiazinan-4-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=CS2)C(=O)N3CCS(=O)CC3

DOS

IR

Vibrations