Geometry & MOs

Info

ID:	244630
PubChem CID:	99368492
Reduced:	SO4N6H14C18 (1)
Stoich.:	AB4C6D14E18 (1)
Weight, g/mol:	436.077218
ΔH_f, kcal/mol:	21.65
Dipole, Da:	2.85
IP(EA), eV:	-9.15(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloropyrazol-1-yl)-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NNC(=O)C3=CSC(=N3)C4=NC=NN4

DOS

IR

Vibrations