Geometry & MOs

Info

ID:	342465
PubChem CID:	127265620
Reduced:	ClN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	271.02379
ΔH_f, kcal/mol:	-1.76
Dipole, Da:	4.42
IP(EA), eV:	-8.89(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-pyrimidin-4-ylethenyl)-2-thiophen-2-yl-1,3-thiazole

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C=CC2=NC=NC=C2)Cl)OC

DOS

IR

Vibrations