Geometry & MOs

Info

ID:	208448
PubChem CID:	80531127
Reduced:	BrNSCl2H8C11 (1)
Stoich.:	ABCD2E8F11 (1)
Weight, g/mol:	337.87347
ΔH_f, kcal/mol:	46.75
Dipole, Da:	1.66
IP(EA), eV:	-9.51(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bromo-(2-chloro-4-fluorophenyl)methyl]-3-chlorothiophene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(C2=CC(=C(S2)Br)Cl)N)Cl

DOS

IR

Vibrations