Geometry & MOs

Info

ID:	61030
PubChem CID:	26704555
Reduced:	SN2O6C24H30 (1)
Stoich.:	AB2C6D24E30 (1)
Weight, g/mol:	338.095437
ΔH_f, kcal/mol:	-215.7
Dipole, Da:	3.95
IP(EA), eV:	-8.41(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-fluoro-4-methylbenzoate

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N4CCOCC4)OC)OC

DOS

IR

Vibrations