Geometry & MOs

Info

ID:

86303

PubChem CID:

49884005

Reduced:

BrClN2S2O3C17H19 (1)

Stoich.:

ABC2D2E3F17G19 (1)

Weight, g/mol:

506.201058

ΔHf, kcal/mol:

-26.77

Dipole, Da:

2.1

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.872671

Charge, e:

 -1

Chem-info

IUPAC name:

4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one;chloride

Drug info:

PubChemData

Smile

CN(C)CCOC(=O)CCN1C(=O)/C(=C/C2=CC(=CC=C2)Br)/SC1=S.[Cl-]

DOS

IR

Vibrations