Geometry & MOs

Info

ID:	83442
PubChem CID:	49857596
Reduced:	SO2N7H21C23 (1)
Stoich.:	AB2C7D21E23 (1)
Weight, g/mol:	450.127423
ΔH_f, kcal/mol:	98.13
Dipole, Da:	4.3
IP(EA), eV:	-9.15(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[10-(6-fluoroquinolin-3-yl)-5-methyl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,4,6,8,10-pentaen-7-yl]thiane 1,1-dioxide

Drug info:

PubChemData

Smile

CC1=NN=C2C1=C(N=C3N2NC=C3C4=CN=C(C=C4)C5=CN=CC=C5)C6CCS(=O)(=O)CC6

DOS

IR

Vibrations