Geometry & MOs

Info

ID:	209549
PubChem CID:	80687533
Reduced:	ClNSO2C10H14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	219.012077
ΔH_f, kcal/mol:	-67.29
Dipole, Da:	4.23
IP(EA), eV:	-9.43(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCOC1=NC(=C(S1)C=O)Cl

DOS

IR

Vibrations