Geometry & MOs

Info

ID:	425243
PubChem CID:	135125622
Reduced:	SO2F3N6H25C26 (1)
Stoich.:	AB2C3D6E25F26 (1)
Weight, g/mol:	444.204907
ΔH_f, kcal/mol:	-105.08
Dipole, Da:	9.23
IP(EA), eV:	-8.64(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(8-methylquinolin-7-yl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]-[(2R)-oxolan-2-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=NC=CC(=C2)C(F)(F)F)C#CC3=CN=C(S3)NC(=O)N4CC[C@@H](C4)N(C)C

DOS

IR

Vibrations