Geometry & MOs

Info

ID:	268182
PubChem CID:	103598251
Reduced:	OSN2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	320.099477
ΔH_f, kcal/mol:	22.37
Dipole, Da:	4.26
IP(EA), eV:	-9.22(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenoxy)propan-2-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CNC(=O)C=CC2=CC=CS2

DOS

IR

Vibrations