Geometry & MOs

Info

ID:

435247

PubChem CID:

135186088

Reduced:

ClOSN7C28H34 (1)

Stoich.:

ABCD7E28F34 (1)

Weight, g/mol:

525.234451

ΔHf, kcal/mol:

57.72

Dipole, Da:

6.96

IP(EA), eV:

 -8.35(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-methylpiperazin-1-yl)-[1-[5-methyl-6-(4-thiomorpholin-4-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(N1CCN2CCN(CC2)C(=O)C3CCN(CC3)C4=NN5C=C(N=C5S4)C6=CC=C(C=C6)Cl)C

DOS

IR

Vibrations