Geometry & MOs

Info

ID:	55293
PubChem CID:	17390015
Reduced:	ClNSO2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	205.01975
ΔH_f, kcal/mol:	-34.37
Dipole, Da:	1.15
IP(EA), eV:	-8.88(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations