Geometry & MOs

Info

ID:	372935
PubChem CID:	131307217
Reduced:	SN2O3C9H20 (1)
Stoich.:	AB2C3D9E20 (1)
Weight, g/mol:	245.029269
ΔH_f, kcal/mol:	-150.75
Dipole, Da:	4.03
IP(EA), eV:	-9.18(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylthiadiazol-5-yl)thiomorpholine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCN(CC1N)S(=O)(=O)CCCO

DOS

IR

Vibrations