Geometry & MOs

Info

ID:	291178
PubChem CID:	111689329
Reduced:	IS2F3N5C19H27 (1)
Stoich.:	AB2C3D5E19F27 (1)
Weight, g/mol:	502.12633
ΔH_f, kcal/mol:	-96.44
Dipole, Da:	5.72
IP(EA), eV:	-8.65(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCCC1=NC(=CS1)C(F)(F)F)NCC2CCN(CC2)CC3=CC=CS3.I

DOS

IR

Vibrations