Geometry & MOs

Info

ID:	412911
PubChem CID:	135085848
Reduced:	BrClNSO2H3C6 (1)
Stoich.:	ABCDE2F3G6 (1)
Weight, g/mol:	180.0409
ΔH_f, kcal/mol:	40.81
Dipole, Da:	4.44
IP(EA), eV:	-9.84(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylsulfanylethynyl)-4-fluorobenzene

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Br)/C=C(/[N+](=O)[O-])\Cl

DOS

IR

Vibrations