Geometry & MOs

Info

ID:	209551
PubChem CID:	80687535
Reduced:	ClNSO2C9H12 (1)
Stoich.:	ABCD2E9F12 (1)
Weight, g/mol:	293.027728
ΔH_f, kcal/mol:	-62.62
Dipole, Da:	4.36
IP(EA), eV:	-9.44(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,3-thiazole-5-carbaldehyde

Drug info:

PubChemData

Smile

CCCCCOC1=NC(=C(S1)C=O)Cl

DOS

IR

Vibrations