Geometry & MOs

Info

ID:	319732
PubChem CID:	126657135
Reduced:	FSN2O2C23H23 (1)
Stoich.:	ABC2D2E23F23 (1)
Weight, g/mol:	288.94222
ΔH_f, kcal/mol:	-76.86
Dipole, Da:	3.6
IP(EA), eV:	-8.65(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(methylamino)phenyl]ethynyl thiohypoiodite

Drug info:

PubChemData

Smile

C1C[C@H](C2=C(C1)C=C(C=C2)SC3=CC=CC(=C3)F)CNC4=C(C=CN=C4)C(O)O

DOS

IR

Vibrations