Geometry & MOs

Info

ID:

176241

PubChem CID:

76017133

Reduced:

O6C21H25 (2)

Stoich.:

A6B21C25 (2)

Weight, g/mol:

746.330227

ΔHf, kcal/mol:

-445.72

Dipole, Da:

6.76

IP(EA), eV:

 -9.38(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1'-[[4-[(2,2-dimethylspiro[1,3-dioxolane-4,3'-3a,5,10,11a-tetrahydro-1H-furo[3,4-c][2,5]benzodioxocine]-1'-yl)methoxymethyl]phenyl]methoxymethyl]-2,2-dimethylspiro[1,3-dioxolane-4,3'-3a,5,10,11a-tetrahydro-1H-furo[3,4-c][2,5]benzodioxocine]

Drug info:

PubChemData

Smile

CC1(OCC2(O1)C3C(C(O2)COCC4=CC(=CC=C4)COCC5C6C(C7(O5)COC(O7)(C)C)OCC8=CC=CC=C8CO6)OCC9=CC=CC=C9CO3)C

DOS

IR

Vibrations