Geometry & MOs

Info

ID:	178566
PubChem CID:	76350063
Reduced:	FO2N4H23C24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	287.061614
ΔH_f, kcal/mol:	-41.1
Dipole, Da:	4.72
IP(EA), eV:	-8.87(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-prop-2-enoxyphenyl)ethenyl]-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2CCC#N)C=CC(=O)NCC(CC3=CC=C(C=C3)F)C(=O)N

DOS

IR

Vibrations