Geometry & MOs

Info

ID:	133192
PubChem CID:	51489454
Reduced:	BrON3C17H24 (1)
Stoich.:	ABC3D17E24 (1)
Weight, g/mol:	486.218843
ΔH_f, kcal/mol:	-44.57
Dipole, Da:	2.9
IP(EA), eV:	-8.3(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1CCC2NC(CC(=O)N2C1)CNC3=C(C=C(C=C3)C)Br

DOS

IR

Vibrations