Geometry & MOs

Info

ID:

387579

PubChem CID:

134985971

Reduced:

SN3O4C8H14 (1)

Stoich.:

AB3C4D8E14 (1)

Weight, g/mol:

252.066379

ΔHf, kcal/mol:

-98.79

Dipole, Da:

7.69

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.766183

Charge, e:

 0

Chem-info

IUPAC name:

5-dimethoxyphosphoryl-3-phenyl-1H-pyrazole

Drug info:

PubChemData

Smile

C[C@H](C/C(=C(/C(=O)OC)\[N+]#N)/O)N[S@@](=O)C

DOS

IR

Vibrations