Geometry & MOs

Info

ID:	387060
PubChem CID:	134983817
Reduced:	NOSeC21H27 (1)
Stoich.:	ABCD21E27 (1)
Weight, g/mol:	389.202235
ΔH_f, kcal/mol:	19.34
Dipole, Da:	2.16
IP(EA), eV:	-8.45(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (1S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxa-7-azabicyclo[3.2.2]non-8-ene-7-carboxylate

Drug info:

PubChemData

Smile

CCC(C)(CC)N1[C@H]([C@@H](CO1)[Se]C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations