Geometry & MOs

Info

ID:	421634
PubChem CID:	135116326
Reduced:	SN2O3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	359.16452
ΔH_f, kcal/mol:	-119.52
Dipole, Da:	8.62
IP(EA), eV:	-9.45(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-(6-fluoro-2-methylquinolin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)C(=O)O

DOS

IR

Vibrations