Geometry & MOs

Info

ID:	52006
PubChem CID:	12014778
Reduced:	NOSH11C13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	243.071785
ΔH_f, kcal/mol:	49.3
Dipole, Da:	4.25
IP(EA), eV:	-9.0(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-prop-2-ynylsulfanylquinolin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations