Geometry & MOs

Info

ID:	69431
PubChem CID:	47170054
Reduced:	ClON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	315.019927
ΔH_f, kcal/mol:	19.71
Dipole, Da:	3.41
IP(EA), eV:	-9.34(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-difluoro-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinoline

Drug info:

PubChemData

Smile

CC(C1CC1)NC(=O)C2=CC(=NN2)C3=CC=CC=C3Cl

DOS

IR

Vibrations