Geometry & MOs

Info

ID:	342516
PubChem CID:	127265671
Reduced:	SN2O2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	285.03944
ΔH_f, kcal/mol:	-69.42
Dipole, Da:	4.91
IP(EA), eV:	-8.68(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-pyrazin-2-ylprop-1-enyl)-2-thiophen-2-yl-1,3-thiazole

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)CN2CCCSC3=CC=CC=C32

DOS

IR

Vibrations