Geometry & MOs

Info

ID:	417405
PubChem CID:	135093400
Reduced:	NOC6H9 (5)
Stoich.:	ABC6D9 (5)
Weight, g/mol:	336.148535
ΔH_f, kcal/mol:	-235.53
Dipole, Da:	7.95
IP(EA), eV:	-9.4(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-(4-fluoro-3-methylbenzoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)CCC(C)C)CC3=CC=CC=C3)C(C)C

DOS

IR

Vibrations