Geometry & MOs

Info

ID:	48552
PubChem CID:	11108095
Reduced:	ClON2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	263.026155
ΔH_f, kcal/mol:	-1.21
Dipole, Da:	2.11
IP(EA), eV:	-9.62(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethylsulfanyl-3-sulfanylidenepropyl)azanium;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1=C2C(=NN1)CC(CC2=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations