Geometry & MOs

Info

ID:	209548
PubChem CID:	80687532
Reduced:	ClNSO2C9H12 (1)
Stoich.:	ABCD2E9F12 (1)
Weight, g/mol:	247.043378
ΔH_f, kcal/mol:	-70.24
Dipole, Da:	5.09
IP(EA), eV:	-9.27(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-hexoxy-1,3-thiazole-5-carbaldehyde

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations