Geometry & MOs

Info

ID:	284540
PubChem CID:	104051642
Reduced:	BrClSO2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	356.06232
ΔH_f, kcal/mol:	-40.21
Dipole, Da:	4.06
IP(EA), eV:	-9.04(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-bromo-2-methoxy-3,6-dimethylphenyl)-3,3-dimethyl-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)C(=O)C2=C(C=CS2)Cl)C)Br

DOS

IR

Vibrations