Geometry & MOs

Info

ID:	243229
PubChem CID:	99217285
Reduced:	SO3N4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	425.114234
ΔH_f, kcal/mol:	-39.57
Dipole, Da:	4.89
IP(EA), eV:	-8.64(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[6-(4-chlorophenoxy)pyridin-3-yl]-2-[(2-phenoxyacetyl)amino]propanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=C4C=CC=NC4=CC=C3

DOS

IR

Vibrations