Geometry & MOs

Info

ID:

193440

PubChem CID:

78395299

Reduced:

SO2H9C10 (1)

Stoich.:

AB2C9D10 (1)

Weight, g/mol:

316.093346

ΔHf, kcal/mol:

7.62

Dipole, Da:

3.82

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.797259

Charge, e:

 -1

Chem-info

IUPAC name:

2-[[1-(3,4-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methylamino]acetate

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C=CC(=O)[O-]

DOS

IR

Vibrations