Geometry & MOs

Info

ID:	398009
PubChem CID:	135031347
Reduced:	NSO10C21H23 (1)
Stoich.:	ABC10D21E23 (1)
Weight, g/mol:	477.094096
ΔH_f, kcal/mol:	-365.13
Dipole, Da:	4.54
IP(EA), eV:	-9.48(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5S,8R)-6,7,8-triacetyloxy-9-(acetyloxymethyl)-1,10-dioxa-4-thia-2-azaspiro[4.5]dec-2-ene-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@@H](C(C([C@]2(O1)ON=C(S2)C3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations