Geometry & MOs

Info

ID:	437390
PubChem CID:	135226199
Reduced:	NO5C27H27 (1)
Stoich.:	AB5C27D27 (1)
Weight, g/mol:	266.115424
ΔH_f, kcal/mol:	-144.03
Dipole, Da:	2.24
IP(EA), eV:	-8.84(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4R,5S)-2-(2-methoxyethyl)-5-phenyl-1,3-dioxolane-4-carboxylate

Drug info:

PubChemData

Smile

COCC[C@H]1O[C@H]([C@@H](O1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=CC=CC=C5

DOS

IR

Vibrations