Geometry & MOs

Info

ID:	73155
PubChem CID:	48417109
Reduced:	SO2N5H11C16 (1)
Stoich.:	AB2C5D11E16 (1)
Weight, g/mol:	329.094646
ΔH_f, kcal/mol:	56.96
Dipole, Da:	8.79
IP(EA), eV:	-9.27(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations