Geometry & MOs

Info

ID:

402163

PubChem CID:

135054696

Reduced:

SO2H8C9 (4)

Stoich.:

AB2C8D9 (4)

Weight, g/mol:

412.188589

ΔHf, kcal/mol:

-183.23

Dipole, Da:

1.11

IP(EA), eV:

 -8.74(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diethyl 5,6-bis(hydroxymethyl)-4-(2-methylphenyl)-1,3-dihydroindene-2,2-dicarboxylate

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]3CC(CC3=CC=C2CC1(S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5)(S(=O)(=O)C6=CC=CC=C6)S(=O)(=O)C7=CC=CC=C7

DOS

IR

Vibrations