Geometry & MOs

Info

ID:	131381
PubChem CID:	51199328
Reduced:	ClON3S3H12C15 (1)
Stoich.:	ABC3D3E12F15 (1)
Weight, g/mol:	358.089975
ΔH_f, kcal/mol:	56.79
Dipole, Da:	1.8
IP(EA), eV:	-8.95(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)NC2=NN=C(S2)SCC3=CC=CS3)Cl

DOS

IR

Vibrations