Geometry & MOs

Info

ID:	37366
PubChem CID:	8020224
Reduced:	SF2N2O3H16C17 (1)
Stoich.:	AB2C2D3E16F17 (1)
Weight, g/mol:	316.131074
ΔH_f, kcal/mol:	-150.04
Dipole, Da:	7.64
IP(EA), eV:	-8.96(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl cyclopentanecarboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]1C(=O)O[C@@H](C)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations