Geometry & MOs

Info

ID:	268792
PubChem CID:	103600944
Reduced:	BrClOSH14C15 (1)
Stoich.:	ABCDE14F15 (1)
Weight, g/mol:	307.079763
ΔH_f, kcal/mol:	-3.62
Dipole, Da:	4.02
IP(EA), eV:	-9.08(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methylsulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CSCCOC2=CC(=CC=C2)Br)Cl

DOS

IR

Vibrations