Geometry & MOs

Info

ID:	219482
PubChem CID:	85148742
Reduced:	N2O2C15H17 (2)
Stoich.:	A2B2C15D17 (2)
Weight, g/mol:	514.10554
ΔH_f, kcal/mol:	-47.32
Dipole, Da:	8.68
IP(EA), eV:	-8.35(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-benzoyloxy-3-[(6-chloro-5-nitropyrimidin-4-yl)amino]-2-fluorocyclopentyl]methyl benzoate

Drug info:

PubChemData

Smile

CON=CC1=CC2=C(C=C1)C(=C3C=CC4C=C(C=CC4=N3)CCCN5CCC(CC5)CCC(=O)O)C(=O)N2

DOS

IR

Vibrations