Geometry & MOs

Info

ID:	208324
PubChem CID:	80520333
Reduced:	SN3O4C11H17 (1)
Stoich.:	AB3C4D11E17 (1)
Weight, g/mol:	329.07555
ΔH_f, kcal/mol:	-139.0
Dipole, Da:	5.36
IP(EA), eV:	-9.96(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[cyclopropyl(thiophen-2-yl)methyl]-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CN2CCS(=O)(=O)CC2CC(=O)O

DOS

IR

Vibrations