Geometry & MOs

Info

ID:	398190
PubChem CID:	135032229
Reduced:	ClO3F4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	444.174395
ΔH_f, kcal/mol:	-316.45
Dipole, Da:	2.32
IP(EA), eV:	-8.9(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,6-triacetyloxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)OC[C@@H](CCl)O)C2=CC=C(C=C2)OCC(C(F)(F)F)F

DOS

IR

Vibrations