Geometry & MOs

Info

ID:	128561
PubChem CID:	51049989
Reduced:	ClFO2N5C23H23 (1)
Stoich.:	ABC2D5E23F23 (1)
Weight, g/mol:	273.139865
ΔH_f, kcal/mol:	-50.65
Dipole, Da:	3.55
IP(EA), eV:	-8.09(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(acetylsulfanylmethyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)C/C=C/C(=O)NC2=CC3=C(N=CNC3=CC2=O)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations