Geometry & MOs

Info

ID:	133247
PubChem CID:	51497478
Reduced:	N2S2O6C15H20 (1)
Stoich.:	A2B2C6D15E20 (1)
Weight, g/mol:	304.097855
ΔH_f, kcal/mol:	-227.46
Dipole, Da:	4.13
IP(EA), eV:	-8.62(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-2-methyl-N-[(3S)-oxan-3-yl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](CCSC)NS(=O)(=O)C1=CC2=C(C=C1)OCC(=O)N2

DOS

IR

Vibrations