Geometry & MOs

Info

ID:	383177
PubChem CID:	134974749
Reduced:	NOSC14H19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	323.088795
ΔH_f, kcal/mol:	-6.76
Dipole, Da:	4.03
IP(EA), eV:	-8.65(0.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-cyano-3,3-bis(ethylsulfanyl)-1,2-dihydroindolizin-4-ium-1-yl] acetate

Drug info:

PubChemData

Smile

CCN(CC)C(=S)OC1=CC=CC=C1CC=C

DOS

IR

Vibrations