Geometry & MOs

Info

ID:	276180
PubChem CID:	103821093
Reduced:	ClFON2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	293.065654
ΔH_f, kcal/mol:	-60.66
Dipole, Da:	5.83
IP(EA), eV:	-8.89(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)Cl)N

DOS

IR

Vibrations