Geometry & MOs

Info

ID:	250099
PubChem CID:	103094107
Reduced:	Cl2O2S2N3H5C8 (1)
Stoich.:	A2B2C2D3E5F8 (1)
Weight, g/mol:	275.08254
ΔH_f, kcal/mol:	-0.81
Dipole, Da:	4.62
IP(EA), eV:	-9.47(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(3-chloropyridin-2-yl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)NS(=O)(=O)C2=CN=C(S2)Cl)Cl

DOS

IR

Vibrations