Geometry & MOs

Info

ID:	43998
PubChem CID:	10322820
Reduced:	O8H26C27 (1)
Stoich.:	A8B26C27 (1)
Weight, g/mol:	478.156243
ΔH_f, kcal/mol:	-250.15
Dipole, Da:	1.15
IP(EA), eV:	-9.0(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3R,6R,7S)-7-(1,3-dioxoisoindol-2-yl)-8-oxo-3-phenylsulfanyl-1-azabicyclo[4.2.0]octane-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1/C=C/CO)OC([C@H]2CO)C3=CC4=C(C=C3)OC([C@H](O4)CO)C5=CC(=C(C=C5)O)O

DOS

IR

Vibrations