Geometry & MOs

Info

ID:	176104
PubChem CID:	75997492
Reduced:	SN2O3H26C27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	342.083827
ΔH_f, kcal/mol:	-31.14
Dipole, Da:	6.08
IP(EA), eV:	-8.75(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethoxyphenyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C2NC3C(C=C(S3)C4=CC=CC=C4)C(=O)N2)OCC5=CC=CC=C5

DOS

IR

Vibrations