Geometry & MOs

Info

ID:	73321
PubChem CID:	48417419
Reduced:	SO3N4H10C12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	304.063011
ΔH_f, kcal/mol:	-15.68
Dipole, Da:	6.44
IP(EA), eV:	-9.57(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(methylsulfonylmethyl)benzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations