Geometry & MOs

Info

ID:	291177
PubChem CID:	111688554
Reduced:	ClSF3N5C14H15 (1)
Stoich.:	ABC3D5E14F15 (1)
Weight, g/mol:	573.07047
ΔH_f, kcal/mol:	-81.51
Dipole, Da:	6.07
IP(EA), eV:	-9.39(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCCC1=NC(=CS1)C(F)(F)F)NCC2=CN=C(C=C2)Cl

DOS

IR

Vibrations