Geometry & MOs

Info

ID:	200455
PubChem CID:	79391051
Reduced:	SO2N4C8H14 (1)
Stoich.:	AB2C4D8E14 (1)
Weight, g/mol:	287.98196
ΔH_f, kcal/mol:	-31.75
Dipole, Da:	3.71
IP(EA), eV:	-9.24(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromophenyl)sulfanyl-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C(C)SC1=NN=CN1N)C(=O)OC

DOS

IR

Vibrations