Geometry & MOs

Info

ID:	39991
PubChem CID:	8143358
Reduced:	SN3C16H24 (1)
Stoich.:	AB3C16D24 (1)
Weight, g/mol:	290.169094
ΔH_f, kcal/mol:	41.04
Dipole, Da:	4.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.810249
Charge, e:	1

Chem-info

IUPAC name:

1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-methylbenzimidazole-2-thione

Drug info:

PubChemData

Smile

CC[C@@H]1CCCC[NH+]1CN2C3=CC=CC=C3N(C2=S)C

DOS

IR

Vibrations