Geometry & MOs

Info

ID:	231775
PubChem CID:	87574642
Reduced:	SiN3O6C25H35 (1)
Stoich.:	AB3C6D25E35 (1)
Weight, g/mol:	543.229074
ΔH_f, kcal/mol:	-163.57
Dipole, Da:	3.23
IP(EA), eV:	-8.81(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[2-(2-methylsulfonyloxy-1-phenylmethoxycarbonylcyclopentyl)ethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCCC1CN(OO1)C2=NC3=C(C=C2)OCC(=O)N3CC4=CC=C(C=C4)OC

DOS

IR

Vibrations