Geometry & MOs

Info

ID:	331095
PubChem CID:	127248502
Reduced:	SF3N3O3C17H18 (1)
Stoich.:	AB3C3D3E17F18 (1)
Weight, g/mol:	431.187878
ΔH_f, kcal/mol:	-244.64
Dipole, Da:	4.33
IP(EA), eV:	-9.25(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(4-propoxypiperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)N(C)CC(F)(F)F

DOS

IR

Vibrations