Geometry & MOs

Info

ID:	400477
PubChem CID:	135048051
Reduced:	FeOSH16C17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	651.98866
ΔH_f, kcal/mol:	47.06
Dipole, Da:	5.07
IP(EA), eV:	-8.77(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe]

DOS

IR

Vibrations