Geometry & MOs

Info

ID:	299800
PubChem CID:	117695616
Reduced:	FN2O5C30H41 (1)
Stoich.:	AB2C5D30E41 (1)
Weight, g/mol:	368.04707
ΔH_f, kcal/mol:	-247.01
Dipole, Da:	6.57
IP(EA), eV:	-8.66(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3S,5S)-5-acetyloxy-6-bromo-4-butoxy-3-hydroxyoxane-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1F)C[C@H](C(C2=CC=C(C=C2)OCC3=CC=CC=C3)O)NC(=O)CCCCOC4CCOCC4

DOS

IR

Vibrations