Geometry & MOs

Info

ID:	203137
PubChem CID:	79783540
Reduced:	IN2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	416.93319
ΔH_f, kcal/mol:	86.5
Dipole, Da:	6.64
IP(EA), eV:	-8.96(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methyl]-6-iodo-1,1-dioxo-1,2-benzothiazol-3-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN2C=CN=C2C3=CC(=CC=C3)I

DOS

IR

Vibrations