Geometry & MOs

Info

ID:	320873
PubChem CID:	126664007
Reduced:	NOSC4H11 (1)
Stoich.:	ABCD4E11 (1)
Weight, g/mol:	408.211216
ΔH_f, kcal/mol:	-42.38
Dipole, Da:	2.96
IP(EA), eV:	-8.62(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-difluoro-3-methoxy-3-oxo-1-phenylpropyl) 3-ethyl-7-methylbicyclo[3.3.1]nonane-3-carboxylate

Drug info:

PubChemData

Smile

CCCC[S@](=O)N

DOS

IR

Vibrations