Geometry & MOs

Info

ID:	388498
PubChem CID:	134989338
Reduced:	NO2S2H5F6C8 (1)
Stoich.:	AB2C2D5E6F8 (1)
Weight, g/mol:	256.022787
ΔH_f, kcal/mol:	-334.39
Dipole, Da:	6.82
IP(EA), eV:	-9.94(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(methoxycarbothioylsulfanylmethyl)phenyl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/S(=N\S(=O)(=O)C(F)(F)F)/C(F)(F)F

DOS

IR

Vibrations