Geometry & MOs

Info

ID:	46068
PubChem CID:	10521045
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	340.152203
ΔH_f, kcal/mol:	-111.33
Dipole, Da:	7.59
IP(EA), eV:	-9.68(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(3aR,5R,6R,6aR)-6-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]1C(CC(C2=CC=CC=C2)C3=CC=CC=C3)(C(=O)O)N)C(=O)O

DOS

IR

Vibrations