Geometry & MOs

Info

ID:	61094
PubChem CID:	26705617
Reduced:	SN3O3C19H19 (1)
Stoich.:	AB3C3D19E19 (1)
Weight, g/mol:	428.13184
ΔH_f, kcal/mol:	-70.32
Dipole, Da:	5.01
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)NC(=O)OCC

DOS

IR

Vibrations