Geometry & MOs

Info

ID:	68293
PubChem CID:	46508129
Reduced:	SF3O3N4C20H21 (1)
Stoich.:	AB3C3D4E20F21 (1)
Weight, g/mol:	417.168856
ΔH_f, kcal/mol:	-207.49
Dipole, Da:	6.34
IP(EA), eV:	-9.49(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(1-benzylpyrazol-4-yl)methylidene]-2-(3,4-diethoxyphenyl)-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NN=C(O2)SCC(=O)N3C(CC(=O)NC4=CC=CC=C43)C(F)(F)F

DOS

IR

Vibrations