Geometry & MOs

Info

ID:	61185
PubChem CID:	26706816
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	394.01508
ΔH_f, kcal/mol:	-48.57
Dipole, Da:	5.46
IP(EA), eV:	-8.76(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-fluoro-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=CC=C2NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations