Geometry & MOs

Info

ID:	138378
PubChem CID:	52357751
Reduced:	SO2N6C17H24 (1)
Stoich.:	AB2C6D17E24 (1)
Weight, g/mol:	379.110783
ΔH_f, kcal/mol:	5.03
Dipole, Da:	5.44
IP(EA), eV:	-8.97(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-1-[4-(4-chlorophenyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2CCCCC2N3C1=NN=C3SCC4=NOC(=N4)C

DOS

IR

Vibrations