Geometry & MOs

Info

ID:	208325
PubChem CID:	80520334
Reduced:	NS2O4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	333.043771
ΔH_f, kcal/mol:	-136.26
Dipole, Da:	8.74
IP(EA), eV:	-9.38(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(C2=CC=CS2)N3CCS(=O)(=O)CC3CC(=O)O

DOS

IR

Vibrations