Geometry & MOs

Info

ID:	143690
PubChem CID:	53248374
Reduced:	NaN2S2C8H13 (1)
Stoich.:	AB2C2D8E13 (1)
Weight, g/mol:	244.105922
ΔH_f, kcal/mol:	2.6
Dipole, Da:	4.36
IP(EA), eV:	-7.83(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-(2-methylprop-2-enoylamino)ethylamino]butanedioic acid

Drug info:

PubChemData

Smile

C=CCN1CCN(CC1)C(=S)[S-].[Na+]

DOS

IR

Vibrations