Geometry & MOs

Info

ID:	139490
PubChem CID:	52541142
Reduced:	FO2S2N5C21H24 (1)
Stoich.:	AB2C2D5E21F24 (1)
Weight, g/mol:	408.120687
ΔH_f, kcal/mol:	-57.23
Dipole, Da:	10.59
IP(EA), eV:	-8.57(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-difluorophenyl)methyl 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N=C(N=C3S2)CN4CCN(CC4)S(=O)(=O)C5=CC=CC=C5F)N

DOS

IR

Vibrations