Geometry & MOs

Info

ID:	323509
PubChem CID:	126675065
Reduced:	OSC9H12 (1)
Stoich.:	ABC9D12 (1)
Weight, g/mol:	415.141756
ΔH_f, kcal/mol:	-21.47
Dipole, Da:	0.85
IP(EA), eV:	-8.65(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,4-difluoro-1-methylcyclohexyl)-6-(4-methylsulfanylphenyl)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CC=C2C(=C1)CSCCO2

DOS

IR

Vibrations