Geometry & MOs

Info

ID:	432436
PubChem CID:	135172569
Reduced:	SN2F4O4H14C20 (1)
Stoich.:	AB2C4D4E14F20 (1)
Weight, g/mol:	229.056135
ΔH_f, kcal/mol:	-283.11
Dipole, Da:	3.74
IP(EA), eV:	-9.08(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-4,5-dihydro-1,2-benzothiazol-3-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)C2=CN=C(C=C2)OCC3=C(C=CC(=C3)OC(F)(F)F)SO)F

DOS

IR

Vibrations