Geometry & MOs

Info

ID:	201165
PubChem CID:	79499553
Reduced:	SO3N6C8H14 (1)
Stoich.:	AB3C6D8E14 (1)
Weight, g/mol:	267.115381
ΔH_f, kcal/mol:	-18.52
Dipole, Da:	11.69
IP(EA), eV:	-9.05(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamothioyl-1H-pyrazol-5-yl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)NC\2=NN=C/C2=C(/N)\NO

DOS

IR

Vibrations