Geometry & MOs

Info

ID:

228775

PubChem CID:

87565742

Reduced:

N2O5C10H13 (1)

Stoich.:

A2B5C10D13 (1)

Weight, g/mol:

281.952035

ΔHf, kcal/mol:

-140.51

Dipole, Da:

3.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.766799

Charge, e:

 0

Chem-info

IUPAC name:

2,4-dichloro-3-(oxiran-2-ylmethyl)benzenesulfonic acid

Drug info:

PubChemData

Smile

CC(=C[C@H]1[C@H](OCO1)/C(=C(/C(=O)O)\[N+]#N)/O)C

DOS

IR

Vibrations