Geometry & MOs

Info

ID:	151714
PubChem CID:	56269940
Reduced:	OSF3N3C20H20 (1)
Stoich.:	ABC3D3E20F20 (1)
Weight, g/mol:	399.117211
ΔH_f, kcal/mol:	-143.99
Dipole, Da:	2.85
IP(EA), eV:	-8.53(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzothiazol-2-yl)-N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)NC3=CC=CC=C3NCC(F)(F)F

DOS

IR

Vibrations