Geometry & MOs

Info

ID:	233451
PubChem CID:	90944524
Reduced:	SN2O3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	328.960362
ΔH_f, kcal/mol:	-83.65
Dipole, Da:	2.43
IP(EA), eV:	-9.14(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2-sulfanylideneethanethioate

Drug info:

PubChemData

Smile

CS(=O)(=O)N1C=CC2=C(C=CC=C21)C(=O)N

DOS

IR

Vibrations