Geometry & MOs

Info

ID:	225469
PubChem CID:	85787066
Reduced:	HC2F3 (3)
Stoich.:	AB2C3 (3)
Weight, g/mol:	321.057198
ΔH_f, kcal/mol:	-458.17
Dipole, Da:	0.51
IP(EA), eV:	-11.56(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzothiazol-2-yl)hydrazinyl]naphthalene-1,4-dione

Drug info:

PubChemData

Smile

C(C=C(C(F)(F)F)F)C(C(F)(F)F)(F)F

DOS

IR

Vibrations