Geometry & MOs

Info

ID:	43092
PubChem CID:	10318422
Reduced:	FNSO4C20H24 (1)
Stoich.:	ABCD4E20F24 (1)
Weight, g/mol:	393.058376
ΔH_f, kcal/mol:	-184.63
Dipole, Da:	3.23
IP(EA), eV:	-8.9(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-methyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]-3H-1,3,4-thiadiazole-2-thione;perchlorate

Drug info:

PubChemData

Smile

CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)/C=C/C4=C(C=CC(=C4)F)OC)C

DOS

IR

Vibrations