Geometry & MOs

Info

ID:	208454
PubChem CID:	80531646
Reduced:	BrClNSO3C14H15 (1)
Stoich.:	ABCDE3F14G15 (1)
Weight, g/mol:	279.93243
ΔH_f, kcal/mol:	-56.77
Dipole, Da:	3.65
IP(EA), eV:	-8.93(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-4-chlorothiophen-2-yl)pentan-1-one

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C(C2=CC(=C(S2)Br)Cl)N)OC)OC

DOS

IR

Vibrations