Geometry & MOs

Info

ID:	253381
PubChem CID:	103118047
Reduced:	SO2N4C10H14 (1)
Stoich.:	AB2C4D10E14 (1)
Weight, g/mol:	278.06376
ΔH_f, kcal/mol:	-21.82
Dipole, Da:	9.88
IP(EA), eV:	-8.67(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-carbamothioyl-4-fluorophenyl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CCOC(C2)C(=S)N

DOS

IR

Vibrations