Geometry & MOs

Info

ID:	45068
PubChem CID:	10507721
Reduced:	BrFSN2O4H24C29 (1)
Stoich.:	ABCD2E4F24G29 (1)
Weight, g/mol:	596.01691
ΔH_f, kcal/mol:	-79.07
Dipole, Da:	2.01
IP(EA), eV:	-8.99(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,4-dimethylpiperazin-4-ium-1-carbothioyl)sulfanylbutyl 4,4-dimethylpiperazin-4-ium-1-carbodithioate;dibromide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(C2=C(C=C(C=C2)OCC3=NC4=C(S3)C=CC(=C4)F)Br)ON5C(=O)C6=CC=CC=C6C5=O

DOS

IR

Vibrations