Geometry & MOs

Info

ID:	356618
PubChem CID:	127291844
Reduced:	OSN3C8H10 (2)
Stoich.:	ABC3D8E10 (2)
Weight, g/mol:	390.14741
ΔH_f, kcal/mol:	42.09
Dipole, Da:	6.78
IP(EA), eV:	-8.84(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCN2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=S=N4

DOS

IR

Vibrations