Geometry & MOs

Info

ID:	227050
PubChem CID:	87559910
Reduced:	OSC25H38 (1)
Stoich.:	ABC25D38 (1)
Weight, g/mol:	197.072179
ΔH_f, kcal/mol:	-0.74
Dipole, Da:	1.73
IP(EA), eV:	-8.95(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl 3-aminobutane-1-sulfonate

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/CCC(CC(=S)C)O

DOS

IR

Vibrations