Geometry & MOs

Info

ID:	258403
PubChem CID:	103153449
Reduced:	NBr2S2O5C9H11 (1)
Stoich.:	AB2C2D5E9F11 (1)
Weight, g/mol:	270.052172
ΔH_f, kcal/mol:	-160.34
Dipole, Da:	6.24
IP(EA), eV:	-9.36(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-(methoxycarbonylsulfamoylamino)butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNS(=O)(=O)C1=C(SC(=C1)Br)Br

DOS

IR

Vibrations