Geometry & MOs

Info

ID:	138333
PubChem CID:	52349720
Reduced:	ClON4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	386.141262
ΔH_f, kcal/mol:	66.07
Dipole, Da:	4.04
IP(EA), eV:	-8.39(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(2-phenylethyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=NO1)C2=CC=CC=C2)N3CCN(CC3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations