Geometry & MOs

Info

ID:	51363
PubChem CID:	12014018
Reduced:	FeO13C35H38 (1)
Stoich.:	AB13C35D38 (1)
Weight, g/mol:	238.048607
ΔH_f, kcal/mol:	-313.74
Dipole, Da:	4.4
IP(EA), eV:	-6.79(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-methoxy-11-sulfanylpentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-thione

Drug info:

PubChemData

Smile

C=O.C=O.C=O.C1OCCOC2=CC=CC=C2OC(=O)/C=C/C=C/C(=O)OC3=CC=CC=C3OCCOCCOC4=CC=CC=C4OC1.[Fe]

DOS

IR

Vibrations