Geometry & MOs

Info

ID:	434980
PubChem CID:	135176139
Reduced:	BrSF2N2O4C32H37 (1)
Stoich.:	ABC2D2E4F32G37 (1)
Weight, g/mol:	540.166113
ΔH_f, kcal/mol:	-235.46
Dipole, Da:	8.54
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(4-chlorophenyl)-1,1-difluoro-3-oxo-3-pyrrolidin-1-ylpropan-2-yl]-4-(cyclohexylmethoxy)benzenesulfonamide

Drug info:

PubChemData

Smile

CCC1CCC(N1C(=O)C(C(C2=CC=C(C=C2)Br)(F)F)NS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)OC5CCCC5)CC

DOS

IR

Vibrations