Geometry & MOs

Info

ID:	386864
PubChem CID:	134983183
Reduced:	FePSO5H29C33 (1)
Stoich.:	ABCD5E29F33 (1)
Weight, g/mol:	669.067346
ΔH_f, kcal/mol:	-159.9
Dipole, Da:	8.37
IP(EA), eV:	-8.47(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;iron;(5R)-5-(4-nitrophenyl)sulfanylcyclohepta-1,3-diene;triphenyl phosphite

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].C1C[C@H](C=CC=C1)SC2=CC=CC=C2.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.[Fe]

DOS

IR

Vibrations