Geometry & MOs

Info

ID:

434906

PubChem CID:

135175960

Reduced:

ClFSO2N3H19C24 (1)

Stoich.:

ABCD2E3F19G24 (1)

Weight, g/mol:

568.467604

ΔHf, kcal/mol:

-8.68

Dipole, Da:

9.11

IP(EA), eV:

 -8.52(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[3-[4-[3-[2-[[(E)-3-aminoprop-2-enylidene]amino]ethyl]-3-methoxy-5-(methylamino)pentyl]piperazin-1-yl]propoxy]propoxy]-N-(3,3-dimethylbutan-2-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](CN1C2=C3C=C(C(=C(C3=NS2)F)C4=CC(=CC5=CC=CC=C54)O)Cl)NC(=O)C=C

DOS

IR

Vibrations