Geometry & MOs

Info

ID:	125772
PubChem CID:	50937480
Reduced:	SO4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	337.107399
ΔH_f, kcal/mol:	-165.64
Dipole, Da:	3.75
IP(EA), eV:	-9.56(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R)-7-(4-fluorophenoxy)-3-methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@]23CC[C@@](C2(C)C)(C(=O)C3)C

DOS

IR

Vibrations