Geometry & MOs

Info

ID:	386564
PubChem CID:	134982169
Reduced:	O5C25H26 (1)
Stoich.:	A5B25C26 (1)
Weight, g/mol:	354.99655
ΔH_f, kcal/mol:	-123.11
Dipole, Da:	4.0
IP(EA), eV:	-9.59(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;iron;(2E,4E,6R)-6-phenylsulfanylhepta-2,4-dienenitrile

Drug info:

PubChemData

Smile

COC(=O)CCC[C@@H]1[C@H](O1)/C=C/C=C/COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations