Geometry & MOs

Info

ID:	426154
PubChem CID:	135141468
Reduced:	ON2C13H14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	237.064592
ΔH_f, kcal/mol:	-37.44
Dipole, Da:	3.54
IP(EA), eV:	-8.0(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-butan-2-ylthiophen-3-yl)-5-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2=C(N1C(=O)C)C=CC(=C2)C3=CC(=CC=C3)NC(=O)C)NC4=CC=CC=C4N

DOS

IR

Vibrations