Geometry & MOs

Info

ID:

436271

PubChem CID:

135196651

Reduced:

O2F3H8C18 (2)

Stoich.:

A2B3C8D18 (2)

Weight, g/mol:

539.34063

ΔHf, kcal/mol:

-326.38

Dipole, Da:

10.53

IP(EA), eV:

 -9.17(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-methyl-N'-[(Z)-1-(methylideneamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]prop-1-en-2-yl]-4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbothiohydrazide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C3=C2C(=O)C4=C(C=CC=C4O3)C(F)(F)F)C5=CC6=C(C=C5)C=CC7=C6C(=O)C8=C(O7)C=CC(=C8)C(F)(F)F

DOS

IR

Vibrations