Geometry & MOs

Info

ID:	64669
PubChem CID:	29203829
Reduced:	SN2O7H22C23 (1)
Stoich.:	AB2C7D22E23 (1)
Weight, g/mol:	446.02998
ΔH_f, kcal/mol:	-187.99
Dipole, Da:	7.57
IP(EA), eV:	-8.64(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C(=C3)OC)OCCO4

DOS

IR

Vibrations