Geometry & MOs

Info

ID:	73298
PubChem CID:	48417392
Reduced:	ON3H5C7 (2)
Stoich.:	AB3C5D7 (2)
Weight, g/mol:	251.047696
ΔH_f, kcal/mol:	50.88
Dipole, Da:	2.51
IP(EA), eV:	-9.49(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CC(=O)N2CC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations