Geometry & MOs

Info

ID:	148934
PubChem CID:	53788604
Reduced:	N2O2F3H11C14 (1)
Stoich.:	A2B2C3D11E14 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-153.04
Dipole, Da:	6.9
IP(EA), eV:	-9.09(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NN=C2C=CC(=O)C(=C2)CO)C(F)(F)F

DOS

IR

Vibrations