Geometry & MOs

Info

ID:	134102
PubChem CID:	51644151
Reduced:	F2N2S2O3C22H24 (1)
Stoich.:	A2B2C2D3E22F24 (1)
Weight, g/mol:	449.149932
ΔH_f, kcal/mol:	-182.78
Dipole, Da:	4.33
IP(EA), eV:	-8.81(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCN(C2=CC=CC=C2S1)C(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)F)F

DOS

IR

Vibrations