Geometry & MOs

Info

ID:	258402
PubChem CID:	103153447
Reduced:	SN2O5C9H20 (1)
Stoich.:	AB2C5D9E20 (1)
Weight, g/mol:	436.84249
ΔH_f, kcal/mol:	-226.77
Dipole, Da:	6.35
IP(EA), eV:	-9.98(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations