Geometry & MOs

Info

ID:	226317
PubChem CID:	87350403
Reduced:	SBr2N2O7C26H30 (1)
Stoich.:	AB2C2D7E26F30 (1)
Weight, g/mol:	455.18902
ΔH_f, kcal/mol:	-183.92
Dipole, Da:	4.2
IP(EA), eV:	-9.03(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[1-(2-fluoro-4-methylsulfonylphenyl)piperidin-2-ylidene]amino]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)O/N=C/C1=CC(=C(C(=C1)Br)OC2=CC(=C(C=C2)OC)S(=O)(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)Br

DOS

IR

Vibrations