Geometry & MOs

Info

ID:	431784
PubChem CID:	135171890
Reduced:	SF3O3N5C27H36 (1)
Stoich.:	AB3C3D5E27F36 (1)
Weight, g/mol:	433.294057
ΔH_f, kcal/mol:	-225.14
Dipole, Da:	4.16
IP(EA), eV:	-9.05(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 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)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCN(CC2)C(=O)C3CC3)NC4=NC(=NS4)C(F)(F)F

DOS

IR

Vibrations