Geometry & MOs

Info

ID:	64665
PubChem CID:	29203825
Reduced:	SN2O6C24H26 (1)
Stoich.:	AB2C6D24E26 (1)
Weight, g/mol:	404.10062
ΔH_f, kcal/mol:	-171.87
Dipole, Da:	8.5
IP(EA), eV:	-8.21(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3OC

DOS

IR

Vibrations