Geometry & MOs

Info

ID:	207952
PubChem CID:	80474070
Reduced:	BrClFOSH7C11 (1)
Stoich.:	ABCDEF7G11 (1)
Weight, g/mol:	314.034
ΔH_f, kcal/mol:	-45.21
Dipole, Da:	2.69
IP(EA), eV:	-9.43(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromothiophen-2-yl)-(4-propylcyclohexyl)methanone

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)F)C(C2=C(C=CS2)Br)O

DOS

IR

Vibrations