Geometry & MOs

Info

ID:	437088
PubChem CID:	135214688
Reduced:	FSN3O5C22H32 (1)
Stoich.:	ABC3D5E22F32 (1)
Weight, g/mol:	327.166828
ΔH_f, kcal/mol:	-241.91
Dipole, Da:	2.91
IP(EA), eV:	-9.02(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-N-[(1S)-1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]ethyl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC(C)(CNS(=O)(=O)CCCCN1CCC(=O)NC1=O)C2=CC(=C(C=C2)F)OCC3CC3

DOS

IR

Vibrations