Geometry & MOs

Info

ID:	169418
PubChem CID:	75102958
Reduced:	NF2O3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	437.113331
ΔH_f, kcal/mol:	-137.37
Dipole, Da:	6.64
IP(EA), eV:	-9.05(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(morpholin-4-ylmethyl)-3H-1,3-benzothiazol-2-ylidene]-2-[4-(trifluoromethyl)pyrimidin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1COC(=O)C2C1C=CCC2C(=O)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations