Geometry & MOs

Info

ID:	418446
PubChem CID:	135104842
Reduced:	FNSO4C17H24 (1)
Stoich.:	ABCD4E17F24 (1)
Weight, g/mol:	334.152872
ΔH_f, kcal/mol:	-197.53
Dipole, Da:	6.79
IP(EA), eV:	-9.41(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)F

DOS

IR

Vibrations