Geometry & MOs

Info

ID:	16573
PubChem CID:	473043
Reduced:	INSO2H8C14 (1)
Stoich.:	ABCD2E8F14 (1)
Weight, g/mol:	380.93205
ΔH_f, kcal/mol:	-4.14
Dipole, Da:	1.53
IP(EA), eV:	-9.38(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-iodobenzoyl)-3H-1,3-benzothiazol-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)I)C(=O)C2=CC3=C(C=C2)NC(=O)S3

DOS

IR

Vibrations