Geometry & MOs

Info

ID:	139384
PubChem CID:	52520636
Reduced:	ClSO2N6C22H23 (1)
Stoich.:	ABC2D6E22F23 (1)
Weight, g/mol:	360.010219
ΔH_f, kcal/mol:	60.05
Dipole, Da:	4.29
IP(EA), eV:	-9.22(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(R)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1[C@@H](CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=CO3)SC4=NN=NN4C5CCCC5

DOS

IR

Vibrations