Geometry & MOs

Info

ID:	231626
PubChem CID:	87574329
Reduced:	N2F6C9H10 (1)
Stoich.:	A2B6C9D10 (1)
Weight, g/mol:	491.936146
ΔH_f, kcal/mol:	-277.95
Dipole, Da:	3.23
IP(EA), eV:	-9.68(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(5-chloro-6,8-difluoroisoquinolin-3-yl) sulfate

Drug info:

PubChemData

Smile

C1=CC(C(C=C1)(N)N)C(C(C(F)(F)F)(F)F)F

DOS

IR

Vibrations