Geometry & MOs

Info

ID:	52010
PubChem CID:	12014782
Reduced:	NOSH13C14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	257.087435
ΔH_f, kcal/mol:	37.97
Dipole, Da:	4.34
IP(EA), eV:	-8.92(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-but-2-ynylsulfanyl-1-ethylquinolin-2-one

Drug info:

PubChemData

Smile

CC#CCSC1=CC(=O)N(C2=CC=CC=C21)C

DOS

IR

Vibrations