Geometry & MOs

Info

ID:	425442
PubChem CID:	135126346
Reduced:	SO2F3N6H23C24 (1)
Stoich.:	AB2C3D6E23F24 (1)
Weight, g/mol:	438.161329
ΔH_f, kcal/mol:	-109.57
Dipole, Da:	8.16
IP(EA), eV:	-8.68(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-thieno[2,3-b]pyridin-5-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate

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)NCCN(C)C

DOS

IR

Vibrations