Geometry & MOs

Info

ID:	240686
PubChem CID:	93617081
Reduced:	ClSN3O3C13H16 (1)
Stoich.:	ABC3D3E13F16 (1)
Weight, g/mol:	286.146347
ΔH_f, kcal/mol:	-88.55
Dipole, Da:	1.1
IP(EA), eV:	-9.79(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[(2S)-2-pyrrolidin-1-ylbutyl]pyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@H](C)NS(=O)(=O)C1=CC(=C(C=C1)C#N)Cl

DOS

IR

Vibrations