Geometry & MOs

Info

ID:	64660
PubChem CID:	29203817
Reduced:	SN3O6H21C25 (1)
Stoich.:	AB3C6D21E25 (1)
Weight, g/mol:	396.150764
ΔH_f, kcal/mol:	-122.33
Dipole, Da:	7.77
IP(EA), eV:	-8.68(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations