Geometry & MOs

Info

ID:	55516
PubChem CID:	17395492
Reduced:	O2S2N3C15H17 (1)
Stoich.:	A2B2C3D15E17 (1)
Weight, g/mol:	371.130363
ΔH_f, kcal/mol:	-26.9
Dipole, Da:	4.36
IP(EA), eV:	-8.24(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzylsulfonylpiperidin-4-yl)-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CC1CC(C(=O)O1)SC2=NN=C(S2)NC3=C(C=C(C=C3)C)C

DOS

IR

Vibrations