Geometry & MOs

Info

ID:	366128
PubChem CID:	127319489
Reduced:	FSN3O3C18H20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	325.055484
ΔH_f, kcal/mol:	-108.23
Dipole, Da:	10.2
IP(EA), eV:	-9.34(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=NN(C3=C2CCC3)C4=CC=CC=C4F

DOS

IR

Vibrations