Geometry & MOs

Info

ID:	195484
PubChem CID:	78693694
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	394.120093
ΔH_f, kcal/mol:	5.53
Dipole, Da:	2.76
IP(EA), eV:	-8.52(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-6-[2-(trifluoromethyl)phenyl]hex-5-enyl]azanium

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=C(CCCCN)C2=NC(=NO2)C3=CC=CS3)OC

DOS

IR

Vibrations