Geometry & MOs

Info

ID:	231926
PubChem CID:	87574934
Reduced:	SN2O4F6H10C20 (1)
Stoich.:	AB2C4D6E10F20 (1)
Weight, g/mol:	420.136845
ΔH_f, kcal/mol:	-375.43
Dipole, Da:	6.98
IP(EA), eV:	-9.57(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=CN=C(C=C2C(=C1)C(F)(F)F)OS(=O)(=O)OC3=NC=C4C=CC=C(C4=C3)C(F)(F)F

DOS

IR

Vibrations