Geometry & MOs

Info

ID:	268180
PubChem CID:	103598247
Reduced:	ClON3H16C19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	311.072848
ΔH_f, kcal/mol:	35.98
Dipole, Da:	8.49
IP(EA), eV:	-8.66(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-1,3-thiazol-4-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1NC3=C2C=C(C=C3)Cl)C(=O)C=CC4=CN=CC=C4

DOS

IR

Vibrations