Geometry & MOs

Info

ID:	131234
PubChem CID:	51179023
Reduced:	N3O5C16H25 (1)
Stoich.:	A3B5C16D25 (1)
Weight, g/mol:	333.083493
ΔH_f, kcal/mol:	-161.68
Dipole, Da:	3.22
IP(EA), eV:	-8.35(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)sulfonylethanone

Drug info:

PubChemData

Smile

CCN(CC)CC(=O)NNC(=O)C1=CC(=C(C(=C1)OC)OC)OC

DOS

IR

Vibrations