Geometry & MOs

Info

ID:	45798
PubChem CID:	10517718
Reduced:	ISC10H13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	292.012948
ΔH_f, kcal/mol:	61.31
Dipole, Da:	2.46
IP(EA), eV:	-8.67(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1[C@@H]2C=C[C@H]1C(=C2)CSCCI

DOS

IR

Vibrations