Geometry & MOs

Info

ID:	385784
PubChem CID:	134979977
Reduced:	NO7C25H37 (1)
Stoich.:	AB7C25D37 (1)
Weight, g/mol:	294.131468
ΔH_f, kcal/mol:	-338.73
Dipole, Da:	1.76
IP(EA), eV:	-9.52(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,4S,5R,6S)-6-(2,3-dihydroxybutyl)-4,5-dihydroxy-2-methoxyoxane-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1C[C@H]([C@H](O[C@@H]1OCC2=CC=CC=C2)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations