Geometry & MOs

Info

ID:	322331
PubChem CID:	126669775
Reduced:	ClN7C23H36 (1)
Stoich.:	AB7C23D36 (1)
Weight, g/mol:	385.147843
ΔH_f, kcal/mol:	46.71
Dipole, Da:	3.48
IP(EA), eV:	-8.38(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(S)-tert-butylsulfinyl]-6-[(4-chlorophenyl)methyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC1CN(C(CN1C)CC2=CC=C(C=C2)Cl)C3CCN(CC3)C4=NNC(=N4)N

DOS

IR

Vibrations