Geometry & MOs

Info

ID:	208455
PubChem CID:	80531728
Reduced:	BrClOSC9H10 (1)
Stoich.:	ABCDE9F10 (1)
Weight, g/mol:	379.80959
ΔH_f, kcal/mol:	-23.3
Dipole, Da:	2.88
IP(EA), eV:	-9.59(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-4-chlorothiophen-2-yl)-(2-bromophenyl)methanone

Drug info:

PubChemData

Smile

CCCCC(=O)C1=CC(=C(S1)Br)Cl

DOS

IR

Vibrations