Geometry & MOs

Info

ID:	166941
PubChem CID:	74757565
Reduced:	FSO3N4C22H23 (1)
Stoich.:	ABC3D4E22F23 (1)
Weight, g/mol:	448.103911
ΔH_f, kcal/mol:	-14.84
Dipole, Da:	6.12
IP(EA), eV:	-9.01(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(5-nitrothiophen-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations