Geometry & MOs

Info

ID:	173342
PubChem CID:	75625591
Reduced:	ClFON3C17H19 (1)
Stoich.:	ABCD3E17F19 (1)
Weight, g/mol:	300.129634
ΔH_f, kcal/mol:	-33.0
Dipole, Da:	2.37
IP(EA), eV:	-9.15(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylbutyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC1=CC(=CC=C1)F)C(=O)C=CC2=C(N(N=C2C)C)Cl

DOS

IR

Vibrations