Geometry & MOs

Info

ID:	197487
PubChem CID:	78970249
Reduced:	SN2O3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	269.119798
ΔH_f, kcal/mol:	-33.52
Dipole, Da:	4.11
IP(EA), eV:	-9.79(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-trimethyl-N-propyl-N-prop-2-ynylpyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CCCN(CC#C)S(=O)(=O)C1=C(ON=C1C)C

DOS

IR

Vibrations