Geometry & MOs

Info

ID:	405566
PubChem CID:	135074469
Reduced:	IO5C28H31 (1)
Stoich.:	AB5C28D31 (1)
Weight, g/mol:	304.134445
ΔH_f, kcal/mol:	-113.95
Dipole, Da:	2.75
IP(EA), eV:	-9.32(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-cyclopentyl-1-[(2S,3S)-3-(2-hydroxypropan-2-yl)oxiran-2-yl]prop-2-enyl] methanesulfonate

Drug info:

PubChemData

Smile

CO[C@@H]1C(C([C@@H](C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)I

DOS

IR

Vibrations