Geometry & MOs

Info

ID:	208427
PubChem CID:	80530119
Reduced:	ClOSF2H7C12 (1)
Stoich.:	ABCD2E7F12 (1)
Weight, g/mol:	333.89854
ΔH_f, kcal/mol:	-84.57
Dipole, Da:	3.92
IP(EA), eV:	-9.47(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-methylphenyl)-chloromethyl]-3-chlorothiophene

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)F)CC(=O)C2=C(C=CS2)Cl

DOS

IR

Vibrations