Geometry & MOs

Info

ID:	208435
PubChem CID:	80530257
Reduced:	SCl2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	337.87347
ΔH_f, kcal/mol:	-31.42
Dipole, Da:	2.72
IP(EA), eV:	-9.26(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-5-fluorophenyl)-chloromethyl]-3-chlorothiophene

Drug info:

PubChemData

Smile

CC(CC(C1=C(C=CS1)Cl)Cl)C(C)(C)C

DOS

IR

Vibrations