Geometry & MOs

Info

ID:	139831
PubChem CID:	52603522
Reduced:	FSO3N4H11C14 (1)
Stoich.:	ABC3D4E11F14 (1)
Weight, g/mol:	304.080769
ΔH_f, kcal/mol:	-32.61
Dipole, Da:	10.46
IP(EA), eV:	-9.29(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl] 1H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)COC(=O)C2=C(C=CS2)N3C=NN=N3

DOS

IR

Vibrations