Geometry & MOs

Info

ID:	85357
PubChem CID:	49874286
Reduced:	FeN6C12H24 (1)
Stoich.:	AB6C12D24 (1)
Weight, g/mol:	422.031637
ΔH_f, kcal/mol:	49.99
Dipole, Da:	0.3
IP(EA), eV:	-5.49(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,4S,5S,6R)-5,6-bis(benzenesulfonyl)-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methanethiol

Drug info:

PubChemData

Smile

CN=CC=NC.CN=CC=NC.CN=CC=NC.[Fe]

DOS

IR

Vibrations