Geometry & MOs

Info

ID:	383435
PubChem CID:	134975162
Reduced:	O2S4C9H12 (2)
Stoich.:	A2B4C9D12 (2)
Weight, g/mol:	501.145795
ΔH_f, kcal/mol:	-45.34
Dipole, Da:	4.01
IP(EA), eV:	-8.91(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6R)-3,4,5-triacetyloxy-6-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1COCCSC(=S)C(=C2SC(=C3C(=S)SCCOCCOCCS3)S2)SCCO1

DOS

IR

Vibrations