Geometry & MOs

Info

ID:	166940
PubChem CID:	74757523
Reduced:	SN4O4C21H22 (1)
Stoich.:	AB4C4D21E22 (1)
Weight, g/mol:	442.14749
ΔH_f, kcal/mol:	2.42
Dipole, Da:	8.99
IP(EA), eV:	-8.89(-1.37)
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-(4-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations