Geometry & MOs

Info

ID:	229463
PubChem CID:	87567728
Reduced:	ON6C23H26 (1)
Stoich.:	AB6C23D26 (1)
Weight, g/mol:	652.193214
ΔH_f, kcal/mol:	50.5
Dipole, Da:	11.42
IP(EA), eV:	-8.09(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

difluoromethyl-[4-[(2S)-2-[(6-morpholin-4-ylpyridin-3-yl)sulfonylamino]-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]phosphinic acid

Drug info:

PubChemData

Smile

CN(C)CC1CCN(C1)C2=CC3=C(C=C2)N/C(=C/4\C(=C5C=CC=CC5=NC4=O)N)/N3

DOS

IR

Vibrations