Geometry & MOs

Info

ID:	25825
PubChem CID:	631301
Reduced:	O5C20H24 (1)
Stoich.:	A5B20C24 (1)
Weight, g/mol:	343.996629
ΔH_f, kcal/mol:	-168.49
Dipole, Da:	6.91
IP(EA), eV:	-10.16(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,3,3-trifluoro-2-(4-oxo-[1,3]oxathiolo[4,5-c]chromen-2-ylidene)propanoate

Drug info:

PubChemData

Smile

CC12C3C(C45CC(CCC4C3(CC6C1O6)OC2=O)C(=C)C5)C(=O)OC

DOS

IR

Vibrations