Geometry & MOs

Info

ID:	73180
PubChem CID:	48417155
Reduced:	SO3N5C15H17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	280.05964
ΔH_f, kcal/mol:	-23.2
Dipole, Da:	3.14
IP(EA), eV:	-9.54(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(2-oxochromene-3-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations