Geometry & MOs

Info

ID:	173737
PubChem CID:	75676894
Reduced:	SF2O2N5C23H35 (1)
Stoich.:	AB2C2D5E23F35 (1)
Weight, g/mol:	440.071188
ΔH_f, kcal/mol:	-187.76
Dipole, Da:	2.33
IP(EA), eV:	-8.78(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[2-(2,7-diamino-6-cyano-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-8-ium-3-ylidene)hydrazinyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCCCCN1C(=O)C2CCCCC2N3C1=NN=C3SC(C)C(=O)NC4CCC(C(C4)F)F

DOS

IR

Vibrations