Geometry & MOs

Info

ID:

134571

PubChem CID:

51714550

Reduced:

ClSF2N4O4H12C19 (1)

Stoich.:

ABC2D4E4F12G19 (1)

Weight, g/mol:

434.162391

ΔHf, kcal/mol:

-51.22

Dipole, Da:

5.73

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.122025

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diethyl-5-nitro-2-[(2Z)-2-[(2-propan-2-yloxyphenyl)methylidene]hydrazinyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)[N-]S(=O)(=O)C2=CC(=C(C=C2)N/N=C\C3=C(C=CC=C3F)F)[N+](=O)[O-]

DOS

IR

Vibrations