Geometry & MOs

Info

ID:	151252
PubChem CID:	53790952
Reduced:	H2O3F8C15 (1)
Stoich.:	A2B3C8D15 (1)
Weight, g/mol:	362.079965
ΔH_f, kcal/mol:	-393.93
Dipole, Da:	5.31
IP(EA), eV:	-9.97(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-oxo-2-[7-oxo-5-pentyl-3-(trifluoromethyl)cyclohepta-1,3,5-trien-1-yl]sulfanylacetate

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1F)F)F)F)C(=C2C3=C(C(=C(C(=C3F)O)F)F)C(=O)O2)F

DOS

IR

Vibrations