Geometry & MOs

Info

ID:	387875
PubChem CID:	134987228
Reduced:	SSeC16H22 (1)
Stoich.:	ABC16D22 (1)
Weight, g/mol:	196.035814
ΔH_f, kcal/mol:	48.21
Dipole, Da:	3.92
IP(EA), eV:	-8.05(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-phenyl (E)-2-fluorobut-2-enethioate

Drug info:

PubChemData

Smile

CCCCSC(=[Se])C(CC(=C)C)C1=CC=CC=C1

DOS

IR

Vibrations