Geometry & MOs

Info

ID:	286215
PubChem CID:	104162390
Reduced:	SN2O2C12H14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	244.008868
ΔH_f, kcal/mol:	-59.17
Dipole, Da:	4.98
IP(EA), eV:	-8.83(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazinane-2,4-dione

Drug info:

PubChemData

Smile

CNCCCN1C(=O)C2=CC=CC=C2SC1=O

DOS

IR

Vibrations