Geometry & MOs

Info

ID:	295183
PubChem CID:	117520738
Reduced:	BrClSO4H10C13 (1)
Stoich.:	ABCD4E10F13 (1)
Weight, g/mol:	377.95951
ΔH_f, kcal/mol:	-112.83
Dipole, Da:	4.42
IP(EA), eV:	-8.85(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-methylsulfanyl-5-methylsulfonylphenyl)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=C(C=C(O3)C)C(=C2O1)Br)CS(=O)(=O)Cl

DOS

IR

Vibrations