Geometry & MOs

Info

ID:	393199
PubChem CID:	135019702
Reduced:	OSH22C23 (1)
Stoich.:	ABC22D23 (1)
Weight, g/mol:	452.313789
ΔH_f, kcal/mol:	135.86
Dipole, Da:	4.07
IP(EA), eV:	-8.54(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aR)-4'-hydroxy-6'-[(2R)-2-hydroxypentadecyl]spiro[3a,7a-dihydro-3H-furo[3,2-b]pyran-2,2'-oxane]-5-one

Drug info:

PubChemData

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C1C2C[C@](CC2CSC3=CC=CC=C3)(CC1=O)C#CC4=CC=CC=C4

DOS

IR

Vibrations