Geometry & MOs

Info

ID:	290457
PubChem CID:	104568170
Reduced:	N3O4C13H23 (1)
Stoich.:	A3B4C13D23 (1)
Weight, g/mol:	283.033686
ΔH_f, kcal/mol:	-130.32
Dipole, Da:	6.12
IP(EA), eV:	-8.61(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-ethoxy-1,3-benzothiazol-2-yl)methylsulfanyl]acetic acid

Drug info:

PubChemData

Smile

CCNC1=CN=CC(=N1)OCCOCCOCCOC

DOS

IR

Vibrations