Geometry & MOs

Info

ID:	61007
PubChem CID:	26704190
Reduced:	FS2N3O3H18C23 (1)
Stoich.:	AB2C3D3E18F23 (1)
Weight, g/mol:	462.11619
ΔH_f, kcal/mol:	-78.21
Dipole, Da:	3.32
IP(EA), eV:	-9.24(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C(=O)NCCN2C(=O)/C(=C/C3=CC=CC=C3F)/SC2=O)C4=CC=CC=C4

DOS

IR

Vibrations