Geometry & MOs

Info

ID:	420421
PubChem CID:	135113052
Reduced:	NO7C17H19 (1)
Stoich.:	AB7C17D19 (1)
Weight, g/mol:	370.109563
ΔH_f, kcal/mol:	-238.25
Dipole, Da:	5.98
IP(EA), eV:	-8.4(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)OC

DOS

IR

Vibrations