Geometry & MOs

Info

ID:	141469
PubChem CID:	52880340
Reduced:	S2O3N5C17H21 (1)
Stoich.:	A2B3C5D17E21 (1)
Weight, g/mol:	408.092597
ΔH_f, kcal/mol:	-5.94
Dipole, Da:	8.91
IP(EA), eV:	-9.04(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[[5-[[(6S)-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]thiolane 1,1-dioxide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SC[C@H]2CN=C(NO2)C3=CC=CC=C3)[C@H]4CCS(=O)(=O)C4

DOS

IR

Vibrations