Geometry & MOs

Info

ID:	392513
PubChem CID:	135017000
Reduced:	ClNO2S2C23H26 (1)
Stoich.:	ABC2D2E23F26 (1)
Weight, g/mol:	328.076987
ΔH_f, kcal/mol:	-23.35
Dipole, Da:	5.04
IP(EA), eV:	-9.09(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4R,6R)-2,3-diacetyloxy-6-(trifluoromethyl)oxan-4-yl] acetate

Drug info:

PubChemData

Smile

CCSC(=C(C(=O)CC(C1=CC=C(C=C1)Cl)NC)C(=O)C2=CC=CC=C2)SCC

DOS

IR

Vibrations