Geometry & MOs

Info

ID:	289689
PubChem CID:	104367255
Reduced:	BrClSO2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	236.007805
ΔH_f, kcal/mol:	-6.94
Dipole, Da:	2.16
IP(EA), eV:	-9.26(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylpyrimidin-2-yl)sulfanylthiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)OC2=CSC(=C2)C=O)Cl

DOS

IR

Vibrations