Geometry & MOs

Info

ID:	388328
PubChem CID:	134988805
Reduced:	Br2S3C8H10 (1)
Stoich.:	A2B3C8D10 (1)
Weight, g/mol:	308.96843
ΔH_f, kcal/mol:	43.61
Dipole, Da:	4.45
IP(EA), eV:	-8.67(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-hydroxy-methyl-[methylsulfanyl(phenyl)methylidene]azanium;iodide

Drug info:

PubChemData

Smile

C1CC2CC1C3C2SS(=C(Br)Br)S3

DOS

IR

Vibrations