Geometry & MOs

Info

ID:	268340
PubChem CID:	103598987
Reduced:	FN3O4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	371.073991
ΔH_f, kcal/mol:	-123.77
Dipole, Da:	5.22
IP(EA), eV:	-9.54(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-fluoro-2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN(C)C(=O)C=CC1=C(C=C(C=C1)F)[N+](=O)[O-]

DOS

IR

Vibrations