Geometry & MOs

Info

ID:

88558

PubChem CID:

49955419

Reduced:

FOSCl2N5C16H17 (1)

Stoich.:

ABCD2E5F16G17 (1)

Weight, g/mol:

342.062099

ΔHf, kcal/mol:

90.56

Dipole, Da:

7.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.242384

Charge, e:

 -1

Chem-info

IUPAC name:

5-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one;chloride

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCCCNCC2=CC=C(O2)C3=CC(=C(C=C3)F)Cl.[Cl-]

DOS

IR

Vibrations