Geometry & MOs

Info

ID:	52008
PubChem CID:	12014780
Reduced:	NSO2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	273.08235
ΔH_f, kcal/mol:	0.82
Dipole, Da:	3.39
IP(EA), eV:	-9.03(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-(4-hydroxybut-2-ynylsulfanyl)quinolin-2-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=CC1=O)SCC#CCO

DOS

IR

Vibrations