Geometry & MOs

Info

ID:	284968
PubChem CID:	104086038
Reduced:	ClSO2N3C9H14 (1)
Stoich.:	ABC2D3E9F14 (1)
Weight, g/mol:	262.033147
ΔH_f, kcal/mol:	-62.48
Dipole, Da:	3.57
IP(EA), eV:	-9.57(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-chloropropan-2-ylsulfanyl)quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)OC1=NC(=NC(=N1)Cl)SC(C)CO

DOS

IR

Vibrations