Geometry & MOs

Info

ID:

83272

PubChem CID:

49857378

Reduced:

N2O23C60H110 (1)

Stoich.:

A2B23C60D110 (1)

Weight, g/mol:

242.024895

ΔHf, kcal/mol:

-1168.09

Dipole, Da:

5.19

IP(EA), eV:

 -9.71(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

hydroxy-(2-methyl-1-benzofuran-7-yl)methanesulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

DOS

IR

Vibrations