Geometry & MOs

Info

ID:	231069
PubChem CID:	87572562
Reduced:	OF3N5H10C14 (1)
Stoich.:	AB3C5D10E14 (1)
Weight, g/mol:	253.970001
ΔH_f, kcal/mol:	-85.49
Dipole, Da:	6.95
IP(EA), eV:	-9.03(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

iron;2-prop-2-enylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=NC(=NC3=C2C=CC(=C3)C(F)(F)F)C=O

DOS

IR

Vibrations