Geometry & MOs

Info

ID:	391361
PubChem CID:	135004492
Reduced:	ClN2O2H4C5F5 (1)
Stoich.:	AB2C2D4E5F5 (1)
Weight, g/mol:	232.012891
ΔH_f, kcal/mol:	-340.65
Dipole, Da:	5.43
IP(EA), eV:	-11.06(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-isothiocyanato-8-methylsulfanylquinoline

Drug info:

PubChemData

Smile

C(=O)(C(C(C(C(=O)N)(F)F)(F)Cl)(F)F)N

DOS

IR

Vibrations