Geometry & MOs

Info

ID:	38024
PubChem CID:	8026471
Reduced:	O3N5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	346.058755
ΔH_f, kcal/mol:	-66.07
Dipole, Da:	3.16
IP(EA), eV:	-9.16(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(3,4-difluorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3C)C

DOS

IR

Vibrations