Geometry & MOs

Info

ID:	83279
PubChem CID:	49857392
Reduced:	OF2N6H28C29 (1)
Stoich.:	AB2C6D28E29 (1)
Weight, g/mol:	435.116524
ΔH_f, kcal/mol:	33.22
Dipole, Da:	3.95
IP(EA), eV:	-9.22(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[10-(6-fluoroquinolin-3-yl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2,4,6,8,10-pentaen-7-yl]thiane 1,1-dioxide

Drug info:

PubChemData

Smile

C[C@@](C1=CC(=C(C=C1)F)F)(C2=NC=C(C=C2)CN3CC4(C3)CN(C4)C5=CN=CC(=C5)C#N)NC(=O)C6CC6

DOS

IR

Vibrations