Geometry & MOs

Info

ID:	141468
PubChem CID:	52880325
Reduced:	O2S2N7C18H25 (1)
Stoich.:	A2B2C7D18E25 (1)
Weight, g/mol:	407.108582
ΔH_f, kcal/mol:	53.85
Dipole, Da:	4.25
IP(EA), eV:	-8.63(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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CCN(CC)C(=O)CSC1=NN=C(N1N)SC[C@@H]2CN=C(NO2)C3=CC=CC=C3

DOS

IR

Vibrations