Geometry & MOs

Info

ID:

13954

PubChem CID:

400792

Reduced:

SO2Cl3N6H25C26 (1)

Stoich.:

AB2C3D6E25F26 (1)

Weight, g/mol:

590.082528

ΔHf, kcal/mol:

70.16

Dipole, Da:

4.1

IP(EA), eV:

 -8.65(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4-chlorophenoxy)methyl]-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CN1CCN(CC1)CN2C(=S)N(C(=N2)COC3=CC=C(C=C3)Cl)N=CC4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations