Geometry & MOs

Info

ID:	224938
PubChem CID:	85732561
Reduced:	NSO3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	395.95034
ΔH_f, kcal/mol:	-78.88
Dipole, Da:	5.8
IP(EA), eV:	-8.99(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-5-phenyldithiol-1-ium;iodide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC=C1SC2=CC=CC(=C2)C(=O)O

DOS

IR

Vibrations