Geometry & MOs

Info

ID:	431645
PubChem CID:	135171741
Reduced:	SF3O3N5C26H34 (1)
Stoich.:	AB3C3D5E26F34 (1)
Weight, g/mol:	447.309707
ΔH_f, kcal/mol:	-225.36
Dipole, Da:	3.3
IP(EA), eV:	-9.27(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-amino-4-[(2R)-4-methoxy-4-oxobutan-2-yl]-N-(2-methylpropyl)anilino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCN(CC2)C(=O)C3CC3)NC4=NC(=NS4)C(F)(F)F

DOS

IR

Vibrations