Geometry & MOs

Info

ID:

88539

PubChem CID:

49955298

Reduced:

ClS2N5C13H19 (1)

Stoich.:

AB2C5D13E19 (1)

Weight, g/mol:

426.02201

ΔHf, kcal/mol:

136.96

Dipole, Da:

6.75

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.014420

Charge, e:

 -1

Chem-info

IUPAC name:

5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;chloride

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCCCNCC2=CC=C(C=C2)SC.[Cl-]

DOS

IR

Vibrations