Geometry & MOs

Info

ID:

218950

PubChem CID:

85090234

Reduced:

NPSO8C25H30 (1)

Stoich.:

ABCD8E25F30 (1)

Weight, g/mol:

535.115758

ΔHf, kcal/mol:

-338.11

Dipole, Da:

7.09

IP(EA), eV:

 -8.44(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-methoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]-3-methyl-1,3-thiazol-3-ium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=C(N(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3)CP(=O)(OCC)OCC

DOS

IR

Vibrations