Geometry & MOs

Info

ID:	133259
PubChem CID:	51498992
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	378.172562
ΔH_f, kcal/mol:	-51.52
Dipole, Da:	7.7
IP(EA), eV:	-8.15(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2R)-2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

C[C@H]1CC2=C(N1C(=O)C)C=CC(=C2)NC(=O)C3=CC4=C(C=C3)C(=C(N4)C)C

DOS

IR

Vibrations