Geometry & MOs

Info

ID:	226212
PubChem CID:	87350155
Reduced:	O3Cl5H5C9 (1)
Stoich.:	A3B5C5D9 (1)
Weight, g/mol:	542.273833
ΔH_f, kcal/mol:	-134.24
Dipole, Da:	2.62
IP(EA), eV:	-9.75(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[1-[4-[(1R)-1-(tert-butylsulfinylamino)ethyl]-2,5-difluorophenyl]piperidin-4-ylidene]amino]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O

DOS

IR

Vibrations