Geometry & MOs

Info

ID:	121862
PubChem CID:	50784500
Reduced:	O2N5H21C26 (1)
Stoich.:	A2B5C21D26 (1)
Weight, g/mol:	476.128504
ΔH_f, kcal/mol:	52.42
Dipole, Da:	1.95
IP(EA), eV:	-8.85(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfonyl-1,3-dimethylbenzimidazol-2-one

Drug info:

PubChemData

Smile

C1C2=C(NN=C2C3=CC=CC=C3O1)C(=O)NC4=CC=CC(=C4)CCC5=NC6=CC=CC=C6N5

DOS

IR

Vibrations