Geometry & MOs

Info

ID:	297427
PubChem CID:	117617228
Reduced:	SN2O3F5H9C13 (1)
Stoich.:	AB2C3D5E9F13 (1)
Weight, g/mol:	456.28513
ΔH_f, kcal/mol:	-321.21
Dipole, Da:	10.4
IP(EA), eV:	-9.34(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,3-difluoro-3-[4-[(4-methylcyclohexyl)methoxy]cyclohexyl]propoxy]-2-fluoro-1-propoxybenzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C(C(F)(F)F)(F)F)O

DOS

IR

Vibrations