Geometry & MOs

Info

ID:	30701
PubChem CID:	841744
Reduced:	NSO2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	325.093663
ΔH_f, kcal/mol:	-75.37
Dipole, Da:	5.35
IP(EA), eV:	-9.79(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzothiophen-3-yl-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC(CC)NS(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations