Geometry & MOs

Info

ID:

137247

PubChem CID:

52176309

Reduced:

ClSN3O4H13C15 (1)

Stoich.:

ABC3D4E13F15 (1)

Weight, g/mol:

359.97794

ΔHf, kcal/mol:

-20.79

Dipole, Da:

13.98

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.845627

Charge, e:

 0

Chem-info

IUPAC name:

3-cyanopropyl 2-[(3-bromophenyl)sulfonylamino]acetate

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)N)S(=O)(=O)N=C(/C=C/C2=CC=C(C=C2)Cl)[O-]

DOS

IR

Vibrations