Geometry & MOs

Info

ID:	359620
PubChem CID:	127298894
Reduced:	OSN2C8H9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	263.018306
ΔH_f, kcal/mol:	-19.75
Dipole, Da:	3.63
IP(EA), eV:	-9.21(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-8-fluoro-1-methylsulfonyl-3,4-dihydro-2H-quinoline

Drug info:

PubChemData

Smile

C1CCC(C1)N2CC(CC2=O)C(=O)NC3=NC(=NS3)C4=CSC=C4

DOS

IR

Vibrations