Geometry & MOs

Info

ID:	337376
PubChem CID:	127257061
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-111.5
Dipole, Da:	2.71
IP(EA), eV:	-9.34(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-cyclohexyl-2-(hydrazinecarbonyl)cyclohexyl]quinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CNC[C@@H]1OS(=O)(=O)CCC2=CC=CC=C2

DOS

IR

Vibrations