Geometry & MOs

Info

ID:	139684
PubChem CID:	52580427
Reduced:	S2N4O4C15H34 (1)
Stoich.:	A2B4C4D15E34 (1)
Weight, g/mol:	359.119129
ΔH_f, kcal/mol:	-192.47
Dipole, Da:	3.3
IP(EA), eV:	-9.24(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(2-methylpropyl)benzenesulfonate

Drug info:

PubChemData

Smile

CCCCN(C)S(=O)(=O)N1CCN([C@@H](C1)C)S(=O)(=O)N(C)CCCC

DOS

IR

Vibrations