Geometry & MOs

Info

ID:	268231
PubChem CID:	103598496
Reduced:	OSF2N2H12C14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	272.098334
ΔH_f, kcal/mol:	-72.52
Dipole, Da:	3.84
IP(EA), eV:	-9.52(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-phenylbut-2-enamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CNC(=O)C=CC2=C(C=CC=C2F)F

DOS

IR

Vibrations