Geometry & MOs

Info

ID:	226162
PubChem CID:	87325994
Reduced:	ClNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	439.030155
ΔH_f, kcal/mol:	-89.56
Dipole, Da:	3.46
IP(EA), eV:	-9.05(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[fluoro-(2,3,4,5-tetrafluorophenyl)methoxy]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N/C(=C/C(=O)OC)/C)C)Cl

DOS

IR

Vibrations