Geometry & MOs

Info

ID:	73537
PubChem CID:	48418070
Reduced:	OSF2N3C21H21 (1)
Stoich.:	ABC2D3E21F21 (1)
Weight, g/mol:	403.116604
ΔH_f, kcal/mol:	-80.38
Dipole, Da:	2.5
IP(EA), eV:	-8.75(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-(2,4-difluorophenoxy)acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)CCC2=CC(=C(C=C2)F)F)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations