Geometry & MOs

Info

ID:	294943
PubChem CID:	117507108
Reduced:	BrNOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	324.13953
ΔH_f, kcal/mol:	-54.27
Dipole, Da:	3.88
IP(EA), eV:	-8.76(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-2-(thian-4-yloxy)phenyl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC(=C2)Br)C3(CCCCC3)N)C

DOS

IR

Vibrations