Geometry & MOs

Info

ID:	278495
PubChem CID:	103836292
Reduced:	S2N3O4C12H19 (1)
Stoich.:	A2B3C4D12E19 (1)
Weight, g/mol:	285.078327
ΔH_f, kcal/mol:	-137.3
Dipole, Da:	5.84
IP(EA), eV:	-8.63(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(pent-4-ynylsulfamoyl)-1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NN=C1)S(=O)(=O)NC2CCC(C2)SC

DOS

IR

Vibrations