Geometry & MOs

Info

ID:	209547
PubChem CID:	80687180
Reduced:	ClNSO2H3F5C7 (1)
Stoich.:	ABCD2E3F5G7 (1)
Weight, g/mol:	233.027727
ΔH_f, kcal/mol:	-293.28
Dipole, Da:	2.08
IP(EA), eV:	-9.81(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(2-methylbutan-2-yloxy)-1,3-thiazole-5-carbaldehyde

Drug info:

PubChemData

Smile

C(C(C(F)(F)F)(F)F)OC1=NC(=C(S1)C=O)Cl

DOS

IR

Vibrations