Geometry & MOs

Info

ID:

225662

PubChem CID:

87225335

Reduced:

SN6O7H26C27 (1)

Stoich.:

AB6C7D26E27 (1)

Weight, g/mol:

564.142718

ΔHf, kcal/mol:

-196.32

Dipole, Da:

9.27

IP(EA), eV:

 -8.78(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(2-hydroxy-5-sulfamoylphenyl)-4-oxocyclohexa-1,5-diene-1-carbonyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CC2=C/C(=C\3/NC4=C(N3)C=C(C=C4)C(=N)N)/C(=O)C(=C2)C5=C(C=CC(=C5)S(=O)(=O)N)O)C(=O)O

DOS

IR

Vibrations