Geometry & MOs

Info

ID:	73110
PubChem CID:	48417011
Reduced:	SO2N5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	338.092752
ΔH_f, kcal/mol:	49.13
Dipole, Da:	8.24
IP(EA), eV:	-8.77(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(S2)C(=O)N3C(=C(C=N3)C#N)N)C4=CC=CC=C4

DOS

IR

Vibrations