Geometry & MOs

Info

ID:	416396
PubChem CID:	135089409
Reduced:	S2N3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-73.52
Dipole, Da:	3.75
IP(EA), eV:	-9.71(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCN1CC2=CC=C(C=C2)C(=O)NCCC3=NC=CS3

DOS

IR

Vibrations