Geometry & MOs

Info

ID:	231591
PubChem CID:	87574246
Reduced:	BrO3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	193.040879
ΔH_f, kcal/mol:	-85.62
Dipole, Da:	0.63
IP(EA), eV:	-10.37(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-formamido-4-methylsulfinylbutanoic acid

Drug info:

PubChemData

Smile

C=C(COC(=O)C1CC2C(C1)O2)Br

DOS

IR

Vibrations