Geometry & MOs

Info

ID:	292542
PubChem CID:	115354364
Reduced:	ClSBr2H11C16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	449.807
ΔH_f, kcal/mol:	56.58
Dipole, Da:	1.13
IP(EA), eV:	-9.26(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[(6-bromonaphthalen-2-yl)-chloromethyl]-3-chlorothiophene

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(C2=CC3=C(C=C2)C=C(C=C3)Br)Cl)Br

DOS

IR

Vibrations