Geometry & MOs

Info

ID:	222393
PubChem CID:	85297346
Reduced:	PSF2O5C18H23 (1)
Stoich.:	ABC2D5E18F23 (1)
Weight, g/mol:	420.164499
ΔH_f, kcal/mol:	-331.01
Dipole, Da:	3.45
IP(EA), eV:	-9.91(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dinitroanilino)-6-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)hexanoic acid

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1C2CC(C1S(=O)(=O)C3=CC=CC=C3)C=C2)(F)F)OCC

DOS

IR

Vibrations