Geometry & MOs

Info

ID:	432641
PubChem CID:	135172777
Reduced:	O3N5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	493.2952
ΔH_f, kcal/mol:	-71.47
Dipole, Da:	6.59
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7R,10S)-7-butyl-10-N-(6-fluorohexyl)-6-N-hydroxy-8-oxo-2-oxa-9-azabicyclo[10.2.2]hexadeca-1(14),12,15-triene-6,10-dicarboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)O)C1=NC=NC2=C1N=CN2C3CCCCO3

DOS

IR

Vibrations