Geometry & MOs

Info

ID:	83280
PubChem CID:	49857394
Reduced:	FSO2N5H18C22 (1)
Stoich.:	ABC2D5E18F22 (1)
Weight, g/mol:	418.121195
ΔH_f, kcal/mol:	22.12
Dipole, Da:	5.7
IP(EA), eV:	-9.08(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1C2=C3C=CN=C3N4C(=N2)C(=CN4)C5=CN=C6C=CC(=CC6=C5)F

DOS

IR

Vibrations