Geometry & MOs

Info

ID:	48562
PubChem CID:	11108269
Reduced:	IO2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	266.115424
ΔH_f, kcal/mol:	-78.1
Dipole, Da:	3.2
IP(EA), eV:	-9.5(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5R,6S,6aR)-5-[(S)-hydroxy(phenyl)methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

Drug info:

PubChemData

Smile

CC(=O)OC1CCCC=C1I

DOS

IR

Vibrations