Geometry & MOs

Info

ID:	390791
PubChem CID:	135000967
Reduced:	FeNSH17C19 (1)
Stoich.:	ABCD17E19 (1)
Weight, g/mol:	452.993692
ΔH_f, kcal/mol:	273.21
Dipole, Da:	5.71
IP(EA), eV:	-7.48(-3.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N/C=C\C(=S)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe]

DOS

IR

Vibrations