Geometry & MOs

Info

ID:	73143
PubChem CID:	48417075
Reduced:	SO3N5C15H17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	290.020668
ΔH_f, kcal/mol:	-30.53
Dipole, Da:	8.56
IP(EA), eV:	-9.32(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(7-chloro-1,3-benzodioxole-5-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)S(=O)(=O)N(C)C)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations