Geometry & MOs

Info

ID:	406921
PubChem CID:	135078938
Reduced:	NO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	367.081897
ΔH_f, kcal/mol:	-75.91
Dipole, Da:	5.59
IP(EA), eV:	-9.7(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbanide;cyclopenta-1,3-diene;iron(3+);(E)-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-ylidene]methanol

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\[N+](=O)[O-])/C1=CC(=CC(=C1)C)C

DOS

IR

Vibrations