Geometry & MOs

Info

ID:	422910
PubChem CID:	135118601
Reduced:	FNSO5C15H20 (1)
Stoich.:	ABCD5E15F20 (1)
Weight, g/mol:	294.137971
ΔH_f, kcal/mol:	-251.76
Dipole, Da:	3.1
IP(EA), eV:	-10.36(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(2-fluoro-6-methoxyphenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@@H]1O)S(=O)(=O)C2=CC=CC=C2F)C(=O)O

DOS

IR

Vibrations