Geometry & MOs

Info

ID:

122344

PubChem CID:

50803414

Reduced:

FSO4N6H23C25 (1)

Stoich.:

ABC4D6E23F25 (1)

Weight, g/mol:

526.101244

ΔHf, kcal/mol:

-89.91

Dipole, Da:

2.91

IP(EA), eV:

 -9.24(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-(2-chlorophenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC(=O)N4C(=N3)SC(=N4)C5=CC=C(C=C5)F

DOS

IR

Vibrations