Geometry & MOs

Info

ID:

435177

PubChem CID:

135183454

Reduced:

ClFSN5H19C21 (1)

Stoich.:

ABCD5E19F21 (1)

Weight, g/mol:

784.1624

ΔHf, kcal/mol:

59.71

Dipole, Da:

9.22

IP(EA), eV:

 -8.46(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-chloro-3-[2-[5-(5-chloro-3-piperazin-1-yl-2,1-benzothiazol-6-yl)-7-methoxynaphthalen-2-yl]piperazin-1-yl]-6-(2-fluoro-6-methoxyphenyl)-2,1-benzothiazole

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C3C=C(C(=C(C3=NS2)F)C4=CC(=NC5=CC=CC=C54)N)Cl

DOS

IR

Vibrations