Geometry & MOs

Info

ID:

184945

PubChem CID:

77233371

Reduced:

SN3O4C7H14 (1)

Stoich.:

AB3C4D7E14 (1)

Weight, g/mol:

237.078327

ΔHf, kcal/mol:

-134.84

Dipole, Da:

4.02

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.767313

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-3-[pyrrolidin-1-yl(sulfino)amino]propanoic acid

Drug info:

PubChemData

Smile

C1CCN(C1)N(CC(C(=O)O)N)S(=O)[O-]

DOS

IR

Vibrations