Geometry & MOs

Info

ID:	41629
PubChem CID:	8146631
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	370.122538
ΔH_f, kcal/mol:	6.4
Dipole, Da:	10.17
IP(EA), eV:	-9.06(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-(1,3-benzodioxol-5-yl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-benzyl-ethylazanium

Drug info:

PubChemData

Smile

CC1=CC(=C(N1[C@H](C)COC)C)C(=O)CN2C3=CC=CC=C3N=N2

DOS

IR

Vibrations