Geometry & MOs

Info

ID:	416917
PubChem CID:	135090782
Reduced:	SO2N5C13H21 (1)
Stoich.:	AB2C5D13E21 (1)
Weight, g/mol:	352.14345
ΔH_f, kcal/mol:	-24.25
Dipole, Da:	2.29
IP(EA), eV:	-8.76(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-[2-(4-fluorophenoxy)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)CSC3=NN=CN3C

DOS

IR

Vibrations