Geometry & MOs

Info

ID:	263888
PubChem CID:	103404859
Reduced:	BrClSH3C5 (2)
Stoich.:	ABCD3E5 (2)
Weight, g/mol:	397.87013
ΔH_f, kcal/mol:	41.25
Dipole, Da:	2.97
IP(EA), eV:	-9.21(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bromo-(2,5-dichloro-4-methoxyphenyl)methyl]-3-chloro-4-methylthiophene

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(C2=CC(=C(S2)Br)Br)Cl

DOS

IR

Vibrations