Geometry & MOs

Info

ID:	6518
PubChem CID:	68797
Reduced:	NSO2C5H9 (1)
Stoich.:	ABC2D5E9 (1)
Weight, g/mol:	147.0354
ΔH_f, kcal/mol:	-89.85
Dipole, Da:	3.76
IP(EA), eV:	-9.16(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-thiazinane-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CSCNC1C(=O)O

DOS

IR

Vibrations