Geometry & MOs

Info

ID:	30952
PubChem CID:	853893
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	241.056135
ΔH_f, kcal/mol:	-16.57
Dipole, Da:	3.59
IP(EA), eV:	-8.46(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1,3-benzothiazol-2-one

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1C(=O)NC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations