Geometry & MOs

Info

ID:	73374
PubChem CID:	48417551
Reduced:	SO3N6C15H18 (1)
Stoich.:	AB3C6D15E18 (1)
Weight, g/mol:	293.091275
ΔH_f, kcal/mol:	-25.0
Dipole, Da:	7.21
IP(EA), eV:	-9.36(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)N2C(=C(C=N2)C#N)N)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations