Geometry & MOs

Info

ID:	66207
PubChem CID:	46500431
Reduced:	ClN2F3O4C23H24 (1)
Stoich.:	AB2C3D4E23F24 (1)
Weight, g/mol:	309.076786
ΔH_f, kcal/mol:	-314.67
Dipole, Da:	9.86
IP(EA), eV:	-9.66(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)C1)C(C(=O)N2CC3CCCO3)(C(F)(F)F)NC(=O)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations