Geometry & MOs

Info

ID:	231627
PubChem CID:	87574330
Reduced:	SCl2N2F4O4H6C18 (1)
Stoich.:	AB2C2D4E4F6G18 (1)
Weight, g/mol:	423.20774
ΔH_f, kcal/mol:	-249.89
Dipole, Da:	3.01
IP(EA), eV:	-9.58(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3'S,5R)-1'-(3-benzylpiperidin-1-yl)-2-chlorospiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-carbaldehyde

Drug info:

PubChemData

Smile

C1=C2C(=CN=C1OS(=O)(=O)OC3=NC=C4C(=C3)C(=C(C=C4F)F)Cl)C(=CC(=C2Cl)F)F

DOS

IR

Vibrations