Geometry & MOs

Info

ID:

391609

PubChem CID:

135007171

Reduced:

S2O4C31H32 (1)

Stoich.:

A2B4C31D32 (1)

Weight, g/mol:

302.136553

ΔHf, kcal/mol:

-62.56

Dipole, Da:

1.14

IP(EA), eV:

 -9.27(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[(3aR,5S,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-hydroxymethyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@@H](C1)C2[C@@]34CC(C[C@@H]3[C@@H]4C5=CC=CC=C5)(S(=O)(=O)C6=CC=CC=C6)S(=O)(=O)C7=CC=CC=C7

DOS

IR

Vibrations