Geometry & MOs

Info

ID:

136789

PubChem CID:

52100442

Reduced:

SCl2N3O4H12C19 (1)

Stoich.:

AB2C3D4E12F19 (1)

Weight, g/mol:

340.096717

ΔHf, kcal/mol:

-56.6

Dipole, Da:

3.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.103872

Charge, e:

 -1

Chem-info

IUPAC name:

(2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-3-methylbutanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[N-]S(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3)OC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations