Geometry & MOs

Info

ID:	69976
PubChem CID:	47206247
Reduced:	ClSN2O3C12H15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	245.083413
ΔH_f, kcal/mol:	-78.94
Dipole, Da:	5.61
IP(EA), eV:	-10.01(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(oxolan-3-ylmethyl)pyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CCOCCCNS(=O)(=O)C1=CC(=C(C=C1)C#N)Cl

DOS

IR

Vibrations