Geometry & MOs

Info

ID:

191839

PubChem CID:

78193036

Reduced:

SN2Si2O16C58H71 (1)

Stoich.:

AB2C2D16E58F71 (1)

Weight, g/mol:

272.125988

ΔHf, kcal/mol:

-692.97

Dipole, Da:

2.11

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.758983

Charge, e:

 0

Chem-info

IUPAC name:

2-formyl-5-[(2-methoxyacetyl)oxymethyl]-1,2-dimethylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC2C(OC3C(C2OC(=O)C)SC4C(=O)N(C(=O)[N+](=C4O3)C)C)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)CO[Si](C7=CC=CC=C7)(C8=CC=CC=C8)C(C)(C)C

DOS

IR

Vibrations