Geometry & MOs

Info

ID:	196041
PubChem CID:	78769890
Reduced:	FON3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	342.120213
ΔH_f, kcal/mol:	-6.01
Dipole, Da:	2.9
IP(EA), eV:	-8.97(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)CNC(=O)C=CC3=CC=C(C=C3)F

DOS

IR

Vibrations