Geometry & MOs

Info

ID:	310622
PubChem CID:	126583903
Reduced:	IOC13H23 (1)
Stoich.:	ABC13D23 (1)
Weight, g/mol:	346.120293
ΔH_f, kcal/mol:	-80.24
Dipole, Da:	3.28
IP(EA), eV:	-9.47(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-ethenoxy-2,3-difluorophenyl)phenyl]cyclohexane-1-thiol

Drug info:

PubChemData

Smile

C1CC(CCC1CO)C2CCC(CC2)I

DOS

IR

Vibrations