Geometry & MOs

Info

ID:	391612
PubChem CID:	135007181
Reduced:	NaO4C18H21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	244.131074
ΔH_f, kcal/mol:	-182.13
Dipole, Da:	8.69
IP(EA), eV:	-9.04(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4S,6aR)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

Drug info:

PubChemData

Smile

C1C[C@]([C@@H](C=C1)CC(=O)[O-])(CCOCC2=CC=CC=C2)C=O.[Na+]

DOS

IR

Vibrations