Geometry & MOs

Info

ID:	209232
PubChem CID:	80641320
Reduced:	ClSO2N4H5C7 (1)
Stoich.:	ABC2D4E5F7 (1)
Weight, g/mol:	314.94841
ΔH_f, kcal/mol:	23.37
Dipole, Da:	7.23
IP(EA), eV:	-9.47(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-bromo-1-(3-chlorothiophen-2-yl)propan-2-yl]pyridine

Drug info:

PubChemData

Smile

C1=CSC(=C1Cl)C2=NN=NN2CC(=O)O

DOS

IR

Vibrations