Geometry & MOs

Info

ID:	366241
PubChem CID:	127319698
Reduced:	SN3O3C13H15 (1)
Stoich.:	AB3C3D13E15 (1)
Weight, g/mol:	283.099063
ΔH_f, kcal/mol:	-78.65
Dipole, Da:	5.73
IP(EA), eV:	-9.38(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=CC=CC3=C2NN=C3

DOS

IR

Vibrations