Geometry & MOs

Info

ID:	442460
PubChem CID:	135252245
Reduced:	N3F4O4C15H19 (1)
Stoich.:	A3B4C4D15E19 (1)
Weight, g/mol:	333.124609
ΔH_f, kcal/mol:	-349.18
Dipole, Da:	5.89
IP(EA), eV:	-10.03(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-methylsulfonyloxy-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC12C[C@@H](CO2)N3C=C(C=N3)F)C(=O)O[C@H](CO)C(F)(F)F

DOS

IR

Vibrations