Geometry & MOs

Info

ID:

441217

PubChem CID:

135233680

Reduced:

OS2N6C22H34 (1)

Stoich.:

AB2C6D22E34 (1)

Weight, g/mol:

461.315772

ΔHf, kcal/mol:

-9.42

Dipole, Da:

3.18

IP(EA), eV:

 -8.02(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[[6-[3-[3-[[(Z)-3-aminoprop-2-enylidene]amino]propanoylamino]-4,4-dimethylcyclohexyl]-2-(methylamino)pyridin-3-yl]amino]methyl-trimethylphosphanium

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)C)SN2CCCC(C2)C3=NC(=C(C=C3)NCC(C)(C)C)NC

DOS

IR

Vibrations