Geometry & MOs

Info

ID:	418774
PubChem CID:	135106785
Reduced:	FNSO5C13H16 (1)
Stoich.:	ABCD5E13F16 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-254.3
Dipole, Da:	2.77
IP(EA), eV:	-10.05(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations