Geometry & MOs

Info

ID:	403978
PubChem CID:	135063834
Reduced:	ISN2O2C11H11 (1)
Stoich.:	ABC2D2E11F11 (1)
Weight, g/mol:	401.278147
ΔH_f, kcal/mol:	-2.38
Dipole, Da:	1.82
IP(EA), eV:	-9.0(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-4-one

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1C(=C(C=N1)I)C2=CC=CS2

DOS

IR

Vibrations