Geometry & MOs

Info

ID:

225002

PubChem CID:

85735471

Reduced:

OCl2N4H5C8 (1)

Stoich.:

AB2C4D5E8 (1)

Weight, g/mol:

252.077993

ΔHf, kcal/mol:

60.66

Dipole, Da:

5.5

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.114091

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[(2-methyl-2-sulfamoylpropanoyl)amino]acetate

Drug info:

PubChemData

Smile

C1=C(C(=CC2=[N+](C(=N)C(=O)N=C21)N)Cl)Cl

DOS

IR

Vibrations