Geometry & MOs

Info

ID:	398037
PubChem CID:	135031456
Reduced:	NS2O9C21H31 (1)
Stoich.:	AB2C9D21E31 (1)
Weight, g/mol:	343.087829
ΔH_f, kcal/mol:	-366.93
Dipole, Da:	5.0
IP(EA), eV:	-9.55(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methoxy-6-phenylmethoxy-1,3-benzothiazole-2-carboxylate

Drug info:

PubChemData

Smile

COCC(COS(=O)(=O)C)[C@@H]1[C@@](N(C(=O)O1)CC2=CC=CC=C2)(COS(=O)(=O)C)C3CCC3

DOS

IR

Vibrations