Geometry & MOs

Info

ID:	137208
PubChem CID:	52170411
Reduced:	SN2O3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	352.03402
ΔH_f, kcal/mol:	-57.51
Dipole, Da:	6.52
IP(EA), eV:	-9.56(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzothiazol-2-ylmethyl 4-phenyl-1,3-thiazole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=N2)C(=O)OCC(=O)N

DOS

IR

Vibrations