Geometry & MOs

Info

ID:	372972
PubChem CID:	131307729
Reduced:	SN2O3C9H10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	239.046154
ΔH_f, kcal/mol:	-82.52
Dipole, Da:	4.78
IP(EA), eV:	-9.13(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-3-(6-chloro-4-cyanopyridin-3-yl)butanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2CSCC(=O)C2=NN1

DOS

IR

Vibrations