Geometry & MOs

Info

ID:	231689
PubChem CID:	87574455
Reduced:	NSF3O3C15H16 (1)
Stoich.:	ABC3D3E15F16 (1)
Weight, g/mol:	434.152495
ΔH_f, kcal/mol:	-259.22
Dipole, Da:	6.27
IP(EA), eV:	-9.52(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[6-amino-5-(1,3-benzothiazol-2-yl)pyridin-3-yl]pyrazol-1-yl]morpholin-4-yl]propanal

Drug info:

PubChemData

Smile

C1CC(C(C1)(CCC2=CC=CC=N2)C(=O)OC(=O)C(F)(F)F)S

DOS

IR

Vibrations