Geometry & MOs

Info

ID:	416523
PubChem CID:	135089549
Reduced:	FN2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	356.093913
ΔH_f, kcal/mol:	-137.45
Dipole, Da:	5.93
IP(EA), eV:	-8.91(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-(4-chloro-2-fluorobenzoyl)-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)C3=C(C=C(C=C3)OC)F

DOS

IR

Vibrations