Geometry & MOs

Info

ID:	229515
PubChem CID:	87567902
Reduced:	FSO3N4C22H25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	658.301702
ΔH_f, kcal/mol:	-34.11
Dipole, Da:	3.21
IP(EA), eV:	-8.98(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

difluoromethyl-[4-[(2S)-2-(dodecylsulfonylamino)-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]phosphinic acid

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=NN(C=C4)CC(=O)NO)/C3)S

DOS

IR

Vibrations