Geometry & MOs

Info

ID:	185585
PubChem CID:	77316949
Reduced:	ON3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	478.075007
ΔH_f, kcal/mol:	-1.87
Dipole, Da:	2.73
IP(EA), eV:	-9.0(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(3,5-dichlorophenoxy)-3-fluorobut-1-enyl]-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)C=C1C(=O)N(C(=N1)N)CC2CC2

DOS

IR

Vibrations