Geometry & MOs

Info

ID:	421996
PubChem CID:	135116984
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	-145.46
Dipole, Da:	3.27
IP(EA), eV:	-8.63(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)N[C@H]1C[C@H](N(C1)C)C(=O)O)OC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations