Geometry & MOs

Info

ID:	345052
PubChem CID:	127268812
Reduced:	S2N3O4C16H23 (1)
Stoich.:	A2B3C4D16E23 (1)
Weight, g/mol:	369.081698
ΔH_f, kcal/mol:	-91.18
Dipole, Da:	6.65
IP(EA), eV:	-8.82(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-N-[(2-pyrazol-1-ylphenyl)methyl]thiane-4-sulfonamide

Drug info:

PubChemData

Smile

C1CC1NS(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4CC4

DOS

IR

Vibrations