Geometry & MOs

Info

ID:	61033
PubChem CID:	26704559
Reduced:	N3O4H19C24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	358.040815
ΔH_f, kcal/mol:	-28.92
Dipole, Da:	7.23
IP(EA), eV:	-9.0(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 5-chloro-2-fluorobenzoate

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OC(=O)/C=C/C4=CN(N=N4)CC5=CC=CC=C5

DOS

IR

Vibrations