Geometry & MOs

Info

ID:	349281
PubChem CID:	127275068
Reduced:	FOSN4C21H23 (1)
Stoich.:	ABCD4E21F23 (1)
Weight, g/mol:	393.132254
ΔH_f, kcal/mol:	-25.05
Dipole, Da:	7.35
IP(EA), eV:	-8.58(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,4-difluorophenyl)morpholin-4-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N=C(N=C3S2)CN4CCOC(C4)C5=CC(=CC=C5)F)N

DOS

IR

Vibrations