Geometry & MOs

Info

ID:	392523
PubChem CID:	135017030
Reduced:	O7C13H20 (1)
Stoich.:	A7B13C20 (1)
Weight, g/mol:	248.089603
ΔH_f, kcal/mol:	-318.31
Dipole, Da:	5.83
IP(EA), eV:	-10.3(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R,7aS)-4-[(1R)-1,2-dihydroxyethyl]-7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)C2C3[C@H]([C@H](C(=O)O3)O)OC(O2)(C)C)C

DOS

IR

Vibrations