Geometry & MOs

Info

ID:	52007
PubChem CID:	12014779
Reduced:	NOSH13C14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	259.0667
ΔH_f, kcal/mol:	42.32
Dipole, Da:	3.99
IP(EA), eV:	-8.98(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-hydroxybut-2-ynylsulfanyl)-1-methylquinolin-2-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=CC1=O)SCC#C

DOS

IR

Vibrations