Geometry & MOs

Info

ID:	40306
PubChem CID:	8143905
Reduced:	FON2S2H11C18 (1)
Stoich.:	ABC2D2E11F18 (1)
Weight, g/mol:	322.122538
ΔH_f, kcal/mol:	12.86
Dipole, Da:	3.91
IP(EA), eV:	-8.49(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(3,5-dimethoxyphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=CC3=NC(=O)/C(=C/C4=CC(=CC=C4)F)/S3)S2

DOS

IR

Vibrations