Geometry & MOs

Info

ID:	208469
PubChem CID:	80532716
Reduced:	ClSBr2C9H11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	429.80192
ΔH_f, kcal/mol:	5.34
Dipole, Da:	2.65
IP(EA), eV:	-9.41(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[bromo-(4-chloro-2-methoxyphenyl)methyl]-3-chlorothiophene

Drug info:

PubChemData

Smile

CCC(C)C(C1=CC(=C(S1)Br)Cl)Br

DOS

IR

Vibrations