Geometry & MOs

Info

ID:	229157
PubChem CID:	87567077
Reduced:	FSO3H15C17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	532.160851
ΔH_f, kcal/mol:	-109.06
Dipole, Da:	3.27
IP(EA), eV:	-9.89(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)C)F

DOS

IR

Vibrations