Geometry & MOs

Info

ID:

47472

PubChem CID:

10533087

Reduced:

NPO7C42H86 (1)

Stoich.:

ABC7D42E86 (1)

Weight, g/mol:

748.196703

ΔHf, kcal/mol:

-440.59

Dipole, Da:

16.74

IP(EA), eV:

 -6.51(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-1-[2-(2-methoxyphenyl)-5-methyl-2H-1,3,4-thiadiazol-3-yl]-1-[4-[(E)-C-[2-(2-methoxyphenyl)-5-methyl-2H-1,3,4-thiadiazol-3-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)carbonimidoyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanimine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations