Geometry & MOs

Info

ID:	188328
PubChem CID:	77700544
Reduced:	SO4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	500.216793
ΔH_f, kcal/mol:	-118.64
Dipole, Da:	2.85
IP(EA), eV:	-10.08(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[6,7-dibutoxy-5-(2,2,2-trifluoro-1-hydroxyethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)C(CS(=O)(=O)C)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations