Geometry & MOs

Info

ID:	226106
PubChem CID:	87325740
Reduced:	OS2C6H12 (1)
Stoich.:	AB2C6D12 (1)
Weight, g/mol:	501.169542
ΔH_f, kcal/mol:	9.9
Dipole, Da:	2.44
IP(EA), eV:	-9.05(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[7-(cyclopropylamino)-3-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C=C.C=C.C(C(=S)S)O

DOS

IR

Vibrations