Geometry & MOs

Info

ID:

14081

PubChem CID:

403738

Reduced:

FOSCl4N5H16C28 (1)

Stoich.:

ABCD4E5F16G28 (1)

Weight, g/mol:

630.97842

ΔHf, kcal/mol:

93.08

Dipole, Da:

5.93

IP(EA), eV:

 -8.6(-1.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-chloro-N-[[7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-6-(2,4-dichloro-5-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl]aniline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=NN4C(=NN=C4S3)CNC5=CC=C(C=C5)Cl)C6=CC(=C(C=C6Cl)Cl)F)Cl

DOS

IR

Vibrations