Geometry & MOs

Info

ID:	416615
PubChem CID:	135089830
Reduced:	FSN3O7C31H34 (1)
Stoich.:	ABC3D7E31F34 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	-271.06
Dipole, Da:	6.51
IP(EA), eV:	-9.36(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-[2-(4-propan-2-ylphenyl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

COC1=C2C=CC(=C1)C(=O)NCCCN(CCCC(=O)NCC3=CC(=CC(=C3)F)O2)C(=O)CCS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations