Geometry & MOs

Info

ID:	40296
PubChem CID:	8143892
Reduced:	O2S2N4C19H29 (1)
Stoich.:	A2B2C4D19E29 (1)
Weight, g/mol:	408.165369
ΔH_f, kcal/mol:	-38.01
Dipole, Da:	5.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.815453
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-5-piperidin-1-ylsulfonyl-3-(pyrrolidin-1-ylmethyl)benzimidazole-2-thione

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N(C1=S)C[NH+]4CCCC4

DOS

IR

Vibrations