Geometry & MOs

Info

ID:	9202
PubChem CID:	87147
Reduced:	NSO3C6H15 (1)
Stoich.:	ABC3D6E15 (1)
Weight, g/mol:	181.077265
ΔH_f, kcal/mol:	-146.67
Dipole, Da:	3.85
IP(EA), eV:	-9.48(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(butylamino)ethanesulfonic acid

Drug info:

PubChemData

Smile

CCCCNCCS(=O)(=O)O

DOS

IR

Vibrations