Geometry & MOs

Info

ID:	226609
PubChem CID:	87544382
Reduced:	NO5C11H19 (1)
Stoich.:	AB5C11D19 (1)
Weight, g/mol:	536.149634
ΔH_f, kcal/mol:	-231.59
Dipole, Da:	3.6
IP(EA), eV:	-9.58(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-[(3-benzyl-9-chloro-2,2,4-trioxo-2lambda6-thia-3,7,8-triazabicyclo[3.2.2]nona-1(7),5,8-trien-6-yl)oxy]ethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)OC(=O)[C@@]1(CCCN1)OC

DOS

IR

Vibrations