Geometry & MOs

Info

ID:	134361
PubChem CID:	51685802
Reduced:	SN5C20H31 (1)
Stoich.:	AB5C20D31 (1)
Weight, g/mol:	374.237842
ΔH_f, kcal/mol:	29.37
Dipole, Da:	5.44
IP(EA), eV:	-8.47(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbothioyl]amino]propyl-diethylazanium

Drug info:

PubChemData

Smile

CCN(CC)CCCNC(=S)N1CCC[C@@H](C1)C2=NC3=CC=CC=C3N2

DOS

IR

Vibrations