Geometry & MOs

Info

ID:

312266

PubChem CID:

126603962

Reduced:

S2N3I6O8C50H52 (1)

Stoich.:

A2B3C6D8E50F52 (1)

Weight, g/mol:

373.87769

ΔHf, kcal/mol:

-35.69

Dipole, Da:

8.46

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.919196

Charge, e:

 0

Chem-info

IUPAC name:

(3,4-diiodo-5-methylphenyl)hydrazine

Drug info:

PubChemData

Smile

CCC(C)C(=O)C1CC=C2N1C2(C)C(=O)C3=CC=C(C=C3)C4(/C(=C/C=C/C=C/C=C/C5=[N+](C6=CC(=C(C(=C6C5(C)C)I)I)I)CCCS(=O)(=O)O)/N(C7=CC(=C(C(=C74)I)I)I)CCCS(=O)(=O)O)C

DOS

IR

Vibrations