Geometry & MOs

Info

ID:

134293

PubChem CID:

51673798

Reduced:

NO2C7H16 (1)

Stoich.:

AB2C7D16 (1)

Weight, g/mol:

280.94421

ΔHf, kcal/mol:

-93.06

Dipole, Da:

3.09

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756062

Charge, e:

 -1

Chem-info

IUPAC name:

2-[(3,4-dichlorophenyl)methylsulfonyl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@H](C)[NH2+]C

DOS

IR

Vibrations