Geometry & MOs

Info

ID:	406794
PubChem CID:	135078628
Reduced:	SiO5C15H28 (1)
Stoich.:	AB5C15D28 (1)
Weight, g/mol:	499.01478
ΔH_f, kcal/mol:	-256.27
Dipole, Da:	2.74
IP(EA), eV:	-9.42(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-4-yloxycarbonyloxymethyl (2S,5R)-6-bromo-6-(hydroxymethyl)-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)[C@H]2[C@H](C=CO2)OCOCC[Si](C)(C)C)C

DOS

IR

Vibrations