Geometry & MOs

Info

ID:	268230
PubChem CID:	103598481
Reduced:	O2S2N3C19H19 (1)
Stoich.:	A2B2C3D19E19 (1)
Weight, g/mol:	294.063841
ΔH_f, kcal/mol:	10.69
Dipole, Da:	4.45
IP(EA), eV:	-9.06(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-difluorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CNC(=O)C=CC2=CC=CC=C2OCC3=CSC(=N3)C

DOS

IR

Vibrations