Geometry & MOs

Info

ID:	73320
PubChem CID:	48417418
Reduced:	OS2N4H12C14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	290.047361
ΔH_f, kcal/mol:	68.01
Dipole, Da:	6.91
IP(EA), eV:	-9.25(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-methylsulfonylbenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CSC(S1)C2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations