Geometry & MOs

Info

ID:	52009
PubChem CID:	12014781
Reduced:	NSO2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	243.071785
ΔH_f, kcal/mol:	-6.03
Dipole, Da:	3.62
IP(EA), eV:	-9.02(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-but-2-ynylsulfanyl-1-methylquinolin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations