Geometry & MOs

Info

ID:	279725
PubChem CID:	103844833
Reduced:	NCl2S2O3C11H17 (1)
Stoich.:	AB2C2D3E11F17 (1)
Weight, g/mol:	275.130363
ΔH_f, kcal/mol:	-118.09
Dipole, Da:	3.89
IP(EA), eV:	-9.8(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CCC(CC)(CNS(=O)(=O)C1=C(SC(=C1)Cl)Cl)CO

DOS

IR

Vibrations