Geometry & MOs

Info

ID:	278622
PubChem CID:	103836705
Reduced:	FNS2O4C13H16 (1)
Stoich.:	ABC2D4E13F16 (1)
Weight, g/mol:	312.089226
ΔH_f, kcal/mol:	-188.48
Dipole, Da:	5.76
IP(EA), eV:	-8.61(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(2-pyrrol-1-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)F)S(=O)(=O)NC2CCCSC2

DOS

IR

Vibrations