Geometry & MOs

Info

ID:	287952
PubChem CID:	104302027
Reduced:	BrClOSH10C12 (1)
Stoich.:	ABCDE10F12 (1)
Weight, g/mol:	327.96881
ΔH_f, kcal/mol:	-5.0
Dipole, Da:	0.75
IP(EA), eV:	-9.39(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bromo-(4-chloro-3-methylphenyl)methyl]-5-ethylthiophene

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C2=CC=C(S2)Br)O)Cl

DOS

IR

Vibrations