Geometry & MOs

Info

ID:	40773
PubChem CID:	8144677
Reduced:	S2O3N4C19H29 (1)
Stoich.:	A2B3C4D19E29 (1)
Weight, g/mol:	424.160283
ΔH_f, kcal/mol:	-73.64
Dipole, Da:	2.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.798673
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(morpholin-4-ylmethyl)-5-piperidin-1-ylsulfonylbenzimidazole-2-thione

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N(C1=S)C[NH+]4CCOCC4

DOS

IR

Vibrations