Geometry & MOs

Info

ID:	40085
PubChem CID:	8143542
Reduced:	SF2N4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	307.105114
ΔH_f, kcal/mol:	11.09
Dipole, Da:	4.31
IP(EA), eV:	-8.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(4-methylanilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione

Drug info:

PubChemData

Smile

C1CCN(C1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations