Geometry & MOs

Info

ID:	237677
PubChem CID:	92720568
Reduced:	FSN3O3H20C22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	405.189986
ΔH_f, kcal/mol:	-85.93
Dipole, Da:	4.18
IP(EA), eV:	-8.9(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=CN=CN3C4=CC=C(C=C4)F

DOS

IR

Vibrations