Geometry & MOs

Info

ID:	268107
PubChem CID:	103597896
Reduced:	S2O3N4C17H20 (1)
Stoich.:	A2B3C4D17E20 (1)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	-28.45
Dipole, Da:	2.69
IP(EA), eV:	-9.49(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl 3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)NS(=O)(=O)C1=CC=C(C=C1)C=CC(=O)NC2=NN=C(S2)C3CC3

DOS

IR

Vibrations