Geometry & MOs

Info

ID:

312743

PubChem CID:

126607692

Reduced:

FN9C26H28 (1)

Stoich.:

AB9C26D28 (1)

Weight, g/mol:

517.206695

ΔHf, kcal/mol:

130.63

Dipole, Da:

4.16

IP(EA), eV:

 -8.46(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1E,3E)-4-[3-[(E)-1-(methylamino)-3-methylimino-1-(4-methylphenyl)prop-1-en-2-yl]-6-methylidenepyridazin-1-yl]buta-1,3-dienyl] (3Z,5E)-5-chloroocta-3,5,7-trienimidothioate

Drug info:

PubChemData

Smile

CNC1=CN2C(=N1)C=CC(=N2)C3=C(N(N=C3C4=CC=C(C=C4)F)C)C5CCN(CC5)CC6=CC=NN6

DOS

IR

Vibrations