Geometry & MOs

Info

ID:	55294
PubChem CID:	17390016
Reduced:	NSO2H7C10 (1)
Stoich.:	ABC2D7E10 (1)
Weight, g/mol:	233.014664
ΔH_f, kcal/mol:	-0.31
Dipole, Da:	1.19
IP(EA), eV:	-8.67(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-yl)-1,3-thiazole-2-carbaldehyde

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=CSC=N3

DOS

IR

Vibrations