Geometry & MOs

Info

ID:	366152
PubChem CID:	127319561
Reduced:	NSO3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	319.099063
ΔH_f, kcal/mol:	-138.1
Dipole, Da:	6.68
IP(EA), eV:	-9.85(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-1-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)CC2CCC=C2

DOS

IR

Vibrations