Geometry & MOs

Info

ID:	382938
PubChem CID:	134974381
Reduced:	O3C14H16 (2)
Stoich.:	A3B14C16 (2)
Weight, g/mol:	396.193674
ΔH_f, kcal/mol:	-195.39
Dipole, Da:	1.4
IP(EA), eV:	-9.07(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4E,6R,7S)-3-hydroxy-2-methyl-6,7-bis(phenylmethoxy)-2,3,6,7,8,9-hexahydrooxecin-10-one

Drug info:

PubChemData

Smile

C/C=C/C(=O)O[C@H]1/C=C/[C@H]([C@H](CCC(=O)O[C@@H]1C)OCC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations