Geometry & MOs

Info

ID:	202521
PubChem CID:	79682237
Reduced:	NSO4C11H21 (1)
Stoich.:	ABC4D11E21 (1)
Weight, g/mol:	241.023121
ΔH_f, kcal/mol:	-192.76
Dipole, Da:	5.29
IP(EA), eV:	-9.13(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,1-benzothiazol-3-ylsulfanyl)propane-1,2-diol

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CCCSCC(CO)O

DOS

IR

Vibrations