Geometry & MOs

Info

ID:	395634
PubChem CID:	135026063
Reduced:	SN2O2F3C18H23 (1)
Stoich.:	AB2C2D3E18F23 (1)
Weight, g/mol:	374.121297
ΔH_f, kcal/mol:	-219.98
Dipole, Da:	3.49
IP(EA), eV:	-8.48(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4R,5S)-2,3,4,5-tetraacetyloxycyclohexyl] acetate

Drug info:

PubChemData

Smile

C/C(=C/1\C2=CC=CC=C2N(C1=O)C)/C[C@@H](C(F)(F)F)N[S@@](=O)C(C)(C)C

DOS

IR

Vibrations