Geometry & MOs

Info

ID:	73325
PubChem CID:	48417430
Reduced:	O2N5H15C16 (1)
Stoich.:	A2B5C15D16 (1)
Weight, g/mol:	276.04811
ΔH_f, kcal/mol:	15.63
Dipole, Da:	5.06
IP(EA), eV:	-9.58(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(4-fluorophenyl)sulfanylacetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations