Geometry & MOs

Info

ID:	422181
PubChem CID:	135117350
Reduced:	S2O3N4C13H18 (1)
Stoich.:	A2B3C4D13E18 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-68.65
Dipole, Da:	4.71
IP(EA), eV:	-8.8(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[4-(2-methylphenyl)-1,4-diazepan-1-yl]methyl]-1,2,5-oxadiazole

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC2=C3C=CSC3=NC=N2

DOS

IR

Vibrations