Geometry & MOs

Info

ID:	387237
PubChem CID:	134984529
Reduced:	ClHNOC3F5 (1)
Stoich.:	ABCDE3F5 (1)
Weight, g/mol:	275.100502
ΔH_f, kcal/mol:	-265.57
Dipole, Da:	2.82
IP(EA), eV:	-11.63(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S,3aS)-3-acetyloxy-5-(hydroxymethyl)-2,3,4,5-tetrahydro-[1,2]oxazolo[2,3-b][1,2]oxazole-3a-carboxylate

Drug info:

PubChemData

Smile

C(=N\O)(\C(F)(F)F)/C(F)(F)Cl

DOS

IR

Vibrations