Geometry & MOs

Info

ID:	421062
PubChem CID:	135115304
Reduced:	NSO5C13H17 (1)
Stoich.:	ABC5D13E17 (1)
Weight, g/mol:	294.137971
ΔH_f, kcal/mol:	-202.97
Dipole, Da:	10.64
IP(EA), eV:	-9.96(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@H](C2)C(=O)O)O

DOS

IR

Vibrations