Geometry & MOs

Info

ID:	392029
PubChem CID:	135012056
Reduced:	O8C23H32 (1)
Stoich.:	A8B23C32 (1)
Weight, g/mol:	322.141638
ΔH_f, kcal/mol:	-274.61
Dipole, Da:	2.22
IP(EA), eV:	-9.59(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2S,3S)-2,3-dihydroxy-4-phenylmethoxybutoxy]but-2-ynoate

Drug info:

PubChemData

Smile

CCOC(=O)C#CCOC[C@H]1C(O[C@@]([C@](O1)(C)OC)(C)OC)COCC2=CC=CC=C2

DOS

IR

Vibrations