Geometry & MOs

Info

ID:	291513
PubChem CID:	113038069
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	346.055818
ΔH_f, kcal/mol:	-17.14
Dipole, Da:	1.37
IP(EA), eV:	-8.42(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(benzylamino)pyridazin-3-yl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(C=C2)NC3CC3)OC

DOS

IR

Vibrations