Geometry & MOs

Info

ID:	137657
PubChem CID:	52242030
Reduced:	ClSO2N3H20C22 (1)
Stoich.:	ABC2D3E20F22 (1)
Weight, g/mol:	357.088019
ΔH_f, kcal/mol:	0.18
Dipole, Da:	3.43
IP(EA), eV:	-9.13(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]1C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(S3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations