Geometry & MOs

Info

ID:	138434
PubChem CID:	52366886
Reduced:	OSN2H22C24 (1)
Stoich.:	ABC2D22E24 (1)
Weight, g/mol:	406.111791
ΔH_f, kcal/mol:	33.37
Dipole, Da:	3.64
IP(EA), eV:	-8.81(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-(2-chlorophenoxy)phenyl]-4-methylsulfanyl-2-(propanoylamino)butanamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)CCC2=CC3=CC=CC=C3C=C2)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations