Geometry & MOs

Info

ID:	283734
PubChem CID:	104002292
Reduced:	N2S2O3C12H22 (1)
Stoich.:	A2B2C3D12E22 (1)
Weight, g/mol:	260.119464
ΔH_f, kcal/mol:	-153.51
Dipole, Da:	4.69
IP(EA), eV:	-8.65(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3,3-dimethyl-2-(thiolan-3-ylcarbamoylamino)butanoic acid

Drug info:

PubChemData

Smile

CSCCC(C(=O)O)NC(=O)NC1CCCC1SC

DOS

IR

Vibrations