Geometry & MOs

Info

ID:	382937
PubChem CID:	134974380
Reduced:	O7C34H44 (1)
Stoich.:	A7B34C44 (1)
Weight, g/mol:	464.219889
ΔH_f, kcal/mol:	-229.18
Dipole, Da:	5.05
IP(EA), eV:	-8.66(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4E,6R,7S)-2-methyl-10-oxo-6,7-bis(phenylmethoxy)-2,3,6,7,8,9-hexahydrooxecin-3-yl] (E)-but-2-enoate

Drug info:

PubChemData

Smile

C[C@H]([C@H](/C=C/[C@H]([C@H](CCCO)OCC1=CC=CC=C1)OCC2=CC=CC=C2)OCOC)OCC3=CC=C(C=C3)OC

DOS

IR

Vibrations