Geometry & MOs

Info

ID:

209941

PubChem CID:

80741943

Reduced:

BrFO3H12C15 (1)

Stoich.:

ABC3D12E15 (1)

Weight, g/mol:

320.061297

ΔHf, kcal/mol:

-127.5

Dipole, Da:

4.33

IP(EA), eV:

-9.49(-0.87)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

5-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-4-nitrothiophene-2-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)O)OCC2=CC(=CC(=C2)Br)F

DOS

IR

Vibrations