Geometry & MOs

Info

ID:	64667
PubChem CID:	29203827
Reduced:	S2N3O5C24H25 (1)
Stoich.:	A2B3C5D24E25 (1)
Weight, g/mol:	446.02998
ΔH_f, kcal/mol:	-123.65
Dipole, Da:	8.58
IP(EA), eV:	-8.51(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(4-bromophenyl)-2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

CN(C)C(=O)CSC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3OC

DOS

IR

Vibrations